vanillin-CAS-121-33-5-—-Safety-Data-Sheet CAS_NUMBER 121-33-5 (it_IT)

vanillin (CAS 121-33-5) — Safety Data Sheet

Safety data sheet documentation for vanillin (CAS 121-33-5), compiled to REACH Annex II. Vanillin has no harmonised entry in CLP Annex VI; the sheet states its classification basis (aggregated ECHA C&L notifications). Two options: a working draft sent by e-mail immediately, or a signed card issued within 72 hours of complete input. The item supplied is a document — MolGod.org does not sell, supply or ship chemical substances.

Free, and generated automatically from the sources listed on this page. No person has reviewed it, and it describes the substance in general — not your material, your process or your intended market.

REACH 2020/878
v2 · 10.09.2026
Download Safety Data Sheet (PDF)CAS 121-33-5 · PDF · 152 KBWorking draft — not yet reviewed and approved.

Section 9 — physicochemical properties: 10 of 22 established.

We show what is established and name what is not. Classification and identity are complete on every card; section 9 is where public data is thin.

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  1. €0Audit the sheet you already haveSend us your existing sheet for this substance and we tell you what is wrong with it. One per company. If it turns out to be sound, you buy nothing.Start the free audit →
  2. €49.99Working draftThe complete sixteen-section document, referenced, downloadable immediately after checkout. The right choice while the paperwork is still moving.
  3. €249.99Signed cardThe same document reviewed and signed, issued within 72 hours of complete input — for the moment somebody official asks who stands behind it.

Documentation available for this substance: safety data sheet · CLP label · certificate of analysis on request · specification. Languages: the official language of your destination market, produced per card.

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What you receive — and what this is not

What you receive

  • A digital PDF safety data sheet in the sixteen-section structure of REACH Annex II (Regulation 1907/2006).
  • Substance identification, hazard classification, physicochemical, toxicological and ecological information, and regulatory references.
  • Classification read against the harmonised entry in CLP Annex VI where one exists for the substance.
  • A version number, a compilation date, and the source behind each value that carries one.
  • Delivery by e-mail. Nothing is shipped.

What this is not

  • Not a chemical substance, not a sample, not any physical goods.
  • Not a certification. No official certification scheme for safety data sheets exists in the European Union.
  • Not legal approval, and not a guarantee of compliance in any jurisdiction.
  • Not a substitute for your own regulatory assessment, nor for the safety data sheet supplied by the manufacturer or importer of the substance you actually hold.
  • Not adapted to a specific workplace, process or national annex unless you provide that information.

Where the available evidence does not support a value, the sheet states that the value is not established rather than estimating one. A field with no recorded source is marked as such.

What is in the buyer pack

Everything your compliance officer will ask for, in one file.

  • The product page as PDF — the record as published, so what you forward matches what you read.
  • The safety data sheet at your entitlement level — sixteen sections in the order set by REACH Annex II, for this substance, in the language you select.
  • The CLP label artwork — generated from the same classification as the sheet, so the two cannot disagree.
  • The specification, and the certificate of analysis where batch data exists.
  • sources.txt — every citation with the date it was read.
  • An explicit list of what we could not establish — fields marked unavailable rather than filled with an estimate. This is the honest part of the document and we do not hide it in a footnote.

Your European buyer is going to forward this to somebody who was not on the call. The pack exists so that what they forward is complete, self-explanatory and traceable — rather than four attachments and a sentence beginning “I think this is everything”.

SKU: SDS-121-33-5 Category:

These switch the language of this page. Single substances. Mixtures on enquiry. One document, one language — additional languages are priced separately. Every version, including the Chinese one, is written to EU law — (EC) No 1907/2006 (REACH) Annex II and (EU) 2020/878 — and translated from it. The Chinese version is a reference translation, not a legally valid document for the Chinese market: an SDS for China must be compiled separately to GB/T 16483 and GB/T 17519.

🧬 Visualizzatore di molecole 3D
Caricamento molecola...
Modello 3D Vanillin, CAS 121-33-5, formula molecolare C8H8O3, massa molare 152.15 g/mol

Dati trascritti da registri normativi e letteratura tecnica, con indicazione della fonte e dell'edizione. Non sostituiscono la scheda di dati di sicurezza del fornitore. I campi privi di fonte registrata sono contrassegnati come tali.

📊 Dati chimico-fisici — CAS 121-33-5
📊 Proprietà fisico-chimiche

Riferimento rapido

Formula: C8H8O3
MW: 152.15 g/mol
CAS: 121-33-5
🔬 Proprietà avanzate

Identificatori chimici

SMILES: COC1=C(C=CC(=C1)C=O)O

Ultimo aggiornamento: 2026-10-07

Panoramica chimica: Vanillin
Formula molecolareC8H8O3[1]
Peso molecolare152.15 g/mol[1]
Punto di fusione82 °C[1][2]
Punto di ebollizione285 °C[1][3]
Densità1.06 g/cm³[1]
LogP (lipofilia)1.2[1]
Nome IUPAC4-hydroxy-3-methoxybenzaldehyde[1]
SMILESCOC1=C(C=CC(=C1)C=O)O[1]
InChIKeyMWOOGOJBHIARFG-UHFFFAOYSA-N[1]

Sinonimi: vanillin · 4-Hydroxy-3-methoxybenzaldehyde · 121-33-5 · Vanillic aldehyde · Vanillaldehyde

Fonti dei dati: PubChem (NLM/NIH)
Ultimo aggiornamento: 2026-09-02

📚 Riferimenti scientifici (Chicago Author-Date) (3 sources)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Formula molecolare · Peso molecolare · Punto di fusione · Punto di ebollizione · Densità · LogP (lipofilia) · Nome IUPAC · SMILES · InChIKey
  2. NIST. Chemistry WebBook, SRD 69. National Institute of Standards and Technology. ↗ dotyczy: Punto di fusione
  3. NLM. Hazardous Substances Data Bank (HSDB). National Library of Medicine. ↗ dotyczy: Punto di ebollizione

RICERCA SCIENTIFICA

[1]PubMed2025
Divanillin Cross-Linked Recyclable Cellulose Networks.
Zhang M, Subramaniyan S, Hakkarainen M. (2025). "Divanillin Cross-Linked Recyclable Cellulose Networks.". Macromolecular rapid communications. https://doi.org/10.1002/marc.202401094
Vai allo studio completo ↗
[2]PubMed2025
Milnacipran and Vanillin Alleviate Fibromyalgia-Associated Depression in Reserpine-Induced Rat Model: Role of Wnt/β-Catenin Signaling.
Kamaly NA, Kamel AS, Sadik NA et al.. (2025). "Milnacipran and Vanillin Alleviate Fibromyalgia-Associated Depression in Reserpine-Induced Rat Model: Role of Wnt/β-Catenin Signaling.". Molecular neurob
Vai allo studio completo ↗
[3]PubMed2025
Vanillin alleviates oxidative stress-mediated neuronal pyroptosis induced in rats by isoproterenol via SIRT1/NOX4/ROS/TXNIP/NLRP3 signaling pathway.
Abdelghafour AM, Mahrous M, Zaher ME. (2025). "Vanillin alleviates oxidative stress-mediated neuronal pyroptosis induced in rats by isoproterenol via SIRT1/NOX4/ROS/TXNIP/NLRP3 signaling pathway.". Fo
Vai allo studio completo ↗
[4]PubMed2024
Genetic Engineering Approaches for the Microbial Production of Vanillin.
Santos LDF, Lautru S, Pernodet JL. (2024). "Genetic Engineering Approaches for the Microbial Production of Vanillin.". Biomolecules. https://doi.org/10.3390/biom14111413
Vai allo studio completo ↗
[5]PubMed2024
Paulina S. Gennermann 2023: Eine Geschichte mit Geschmack. Die Natur synthetischer Aromastoffe im 20. Jahrhundert am Beispiel Vanillin und Lisa…
Stoff H. (2024). "Paulina S. Gennermann 2023: Eine Geschichte mit Geschmack. Die Natur synthetischer Aromastoffe im 20. Jahrhundert am Beispiel Vanillin und Lisa Haushofer 2022: Wonder Foods: The Scie
Vai allo studio completo ↗
[6]PubMed2023
Strategies for improving the production of bio-based vanillin.
Liu Y, Sun L, Huo YX et al.. (2023). "Strategies for improving the production of bio-based vanillin.". Microbial cell factories. https://doi.org/10.1186/s12934-023-02144-9
Vai allo studio completo ↗
[7]PubMed2022
Biosynthesis of vanillin by different microorganisms: a review.
Ma Q, Liu L, Zhao S et al.. (2022). "Biosynthesis of vanillin by different microorganisms: a review.". World journal of microbiology & biotechnology. https://doi.org/10.1007/s11274-022-03228-1
Vai allo studio completo ↗
[8]PubMed2021
Therapeutic role of vanillin receptors in cancer.
Rakoczy K, Szlasa W, Saczko J et al.. (2021). "Therapeutic role of vanillin receptors in cancer.". Advances in clinical and experimental medicine : official organ Wroclaw Medical University. https://d
Vai allo studio completo ↗
📚 Riferimenti scientifici (Chicago Author-Date) 9 refs · 1 baz

MOLECULE Bibliografia per-CAS (live da 13+ banche dati)

Fonti: db:pubmed (9)

  1. db:pubmed Zhang M, Subramaniyan S, Hakkarainen M. (2025). "Divanillin Cross-Linked Recyclable Cellulose Networks.". Macromolecular rapid communications. https://doi.org/10.1002/marc.202401094 →
  2. db:pubmed Kamaly NA, Kamel AS, Sadik NA et al.. (2025). "Milnacipran and Vanillin Alleviate Fibromyalgia-Associated Depression in Reserpine-Induced Rat Model: Role of Wnt/β-Catenin Signaling.". Molecular neurobiology. https://doi.org/10.1007/s12035-025-04723-w →
  3. db:pubmed Abdelghafour AM, Mahrous M, Zaher ME. (2025). "Vanillin alleviates oxidative stress-mediated neuronal pyroptosis induced in rats by isoproterenol via SIRT1/NOX4/ROS/TXNIP/NLRP3 signaling pathway.". Food & function. https://doi.org/10.1039/d4fo06458e →
  4. db:pubmed Santos LDF, Lautru S, Pernodet JL. (2024). "Genetic Engineering Approaches for the Microbial Production of Vanillin.". Biomolecules. https://doi.org/10.3390/biom14111413 →
  5. db:pubmed Stoff H. (2024). "Paulina S. Gennermann 2023: Eine Geschichte mit Geschmack. Die Natur synthetischer Aromastoffe im 20. Jahrhundert am Beispiel Vanillin und Lisa Haushofer 2022: Wonder Foods: The Science and Commerce of Nutrition.". NTM. https://doi.org/10.1007/s00048-024-00384-3 →
  6. db:pubmed Liu Y, Sun L, Huo YX et al.. (2023). "Strategies for improving the production of bio-based vanillin.". Microbial cell factories. https://doi.org/10.1186/s12934-023-02144-9 →
  7. db:pubmed Ma Q, Liu L, Zhao S et al.. (2022). "Biosynthesis of vanillin by different microorganisms: a review.". World journal of microbiology & biotechnology. https://doi.org/10.1007/s11274-022-03228-1 →
  8. db:pubmed Rakoczy K, Szlasa W, Saczko J et al.. (2021). "Therapeutic role of vanillin receptors in cancer.". Advances in clinical and experimental medicine : official organ Wroclaw Medical University. https://doi.org/10.17219/acem/139398 →
  9. db:pubmed Kojder PL, Erickson CL. (2021). "Airborne Allergic Contact Dermatitis to Vanillin.". Dermatitis : contact, atopic, occupational, drug. https://doi.org/10.1097/DER.0000000000000677 →
Stato normativo della sostanza
Questa sostanza è soggetta a requisiti normativi: gestione dei rifiuti pericolosi (BDO — norma nazionale, Polonia). Dettagli nella sezione "Stato normativo (REACH/ECHA/CLP)" e nella scheda SDS. Informazione normativa — non limita l'acquisto nel negozio.
🧮 Calcolatore stechiometrico
🧪 Dati chimici
Numero CAS
121-33-5
Formula molecolare
C8H8O3
Massa molare
152.15 g/mol
Nome IUPAC (EN)
4-hydroxy-3-methoxybenzaldehyde
SMILES
COC1=C(C=CC(=C1)C=O)O
InChIKey
MWOOGOJBHIARFG-UHFFFAOYSA-N
📡 Data sources

The data in this widget comes from the following verified scientific sources:

  • PubChem — National Center for Biotechnology Information (NCBI/NIH), USA
  • ChEMBL — European Bioinformatics Institute (EMBL-EBI), UK
  • NIST WebBook — National Institute of Standards and Technology, USA

Data is cached locally for speed — the widget also works offline.

⚗️ Physicochemical properties
Temp. topnienia
82
Density
1.056

Source: PubChem, NIST WebBook. Last updated: 2026-10-07

🔍 Identificatori esterni
14 su 16 sistemi ID88%
DatabaseIdentificatoreAzioni
CAS Registry Number121-33-5Apri →
PubChem CID1183[1]Apri →
InChIKeyMWOOGOJBHIARFG-UHFFFAOYSA-N[1]Apri →
InChIInChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,…[1]
SMILESCOC1=C(C=CC(=C1)C=O)O[1]
EC Number204-465-2[2]Apri →
ChEMBLCHEMBL13883[3]Apri →
KEGG CompoundD00091Apri →
HMDBHMDB0012308Apri →
ChemSpider13860434[4]Apri →
MeSH UID (NLM)C100058Apri →
UNII (FDA)CHI530446XApri →
NSC Number (NCI)15351Apri →
WikiData QIDQ33495Apri →

Fonti: PubChem (NIH), Wikidata SPARQL, KEGG, ChEMBL (EBI), CompTox CTX (EPA).

📚 Riferimenti scientifici (Chicago Author-Date) (4 sources)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: PubChem CID · InChIKey · InChI · SMILES
  2. ECHA. EC Inventory — EINECS, ELINCS, NLP and List Numbers assigned under REACH. Helsinki: European Chemicals Agency. ↗ dotyczy: EC Number
  3. ChEMBL. European Bioinformatics Institute (EMBL-EBI), bioactivity database. ↗ dotyczy: ChEMBL
  4. ChemSpider. Royal Society of Chemistry, chemical structure database. ↗ dotyczy: ChemSpider

Further reading

Publications topically related to this CAS. They are not the source of any value given on this card.

Bibliografia (estesa) (5)

  1. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ non verificato Anonymous. "Vanillin.". https://doi.org/10.31003/fcc_f101484_02_01. link [consultato: 2026-10-07] CC0 (metadata)
  2. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ non verificato Anonymous. "Ethyl Vanillin.". https://doi.org/10.31003/fcc_f101260_02_01. link [consultato: 2026-10-07] CC0 (metadata)
  3. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ non verificato Anonymous. "Vanillin.". https://doi.org/10.31003/uspnf_m87890_02_01. link [consultato: 2026-10-07] CC0 (metadata)
  4. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ non verificato Anonymous. "Ethyl Vanillin.". https://doi.org/10.31003/uspnf_m31950_02_01. link [consultato: 2026-10-07] CC0 (metadata)
  5. ★☆☆☆☆ OPENLIBRARY 🔓 OPEN William Shober Seese. 1965. "The synthesis of substituted o̲-vanillins." link [consultato: 2026-10-07] CC0 (metadata)
📡 Spettroscopia — CAS 121-33-5
📊 Banche dati di spettri spettroscopici — dati inline 9 sources

Gli spettri vengono recuperati su richiesta da 9 fonti. Ogni spettro viene salvato nel nostro database — l'apertura successiva = zero richieste all'API esterna. Scarica JCAMP-DX / CSV / PNG per ogni spettro senza dover cercare.

IR IR (Infrared) — NIST WebBook
Public domain (US Federal)
▶ Clicca per caricare lo spettro
🔗 Source
— points
📚 NIST Chemistry WebBook, SRD 69
MS (NIST) Mass Spectrum (EI) — NIST WebBook
Public domain (US Federal)
▶ Clicca per caricare lo spettro
🔗 Source
— points
📚 NIST Standard Reference Database 1A
UV-Vis UV/Visible Absorption — NIST WebBook
Public domain (US Federal)
▶ Clicca per caricare lo spettro
🔗 Source
— points
📚 NIST Chemistry WebBook, SRD 69
¹H NMR NMR (¹H, ¹³C) — NMRShiftDB
nmrshiftdb2 Database License
https://nmrshiftdb.nmr.uni-koeln.de/nmrshiftdbhtml/nmrshiftdb2datalicense.txt
Type of data: Type of data not reported by the source (may be measured or calculated)
Basis: these values match NMRShiftDB record nmrshiftdb2:60005858; type as classified by MolGod from that record.
▶ Clicca per caricare lo spettro
🔗 Source
About the downloads (Type of data: Type of data not reported by the source (may be measured or calculated))
JCAMP: the NMRShiftDB file as received (JCAMP-DX 5.01 text). It is a peak list: chemical shift in ppm. MolGod adds header lines stating the type of data; the values are unchanged.
CSV: the same peak list in two columns. The second column repeats the shift value; it is not a signal intensity. Lines starting with # state the type of data.
PNG: a picture of the plot above, with the type of data written on it.
Use: where signals are expected or were reported (chemical shift positions). Not included or guaranteed: intensities, multiplicities, coupling constants, line shapes, and solvent or temperature unless stated. A predicted list is not a measurement and cannot serve as a reference spectrum for identity or purity testing. Downloads become active after Show.
— points
📚 Steinbeck C et al. (2003) J. Chem. Inf. Comput. Sci. 43(1):10–16 DOI: 10.1021/ci025588g
MS (MoNA) MoNA — MassBank of North America
CC-BY 4.0
▶ Clicca per caricare lo spettro
🔗 Source
— points
📚 MassBank of North America (UC Davis) DOI: 10.1002/jms.1777
IR/NMR/MS (SDBS) SDBS — Spectral Database for Organic Compounds (Japan AIST)
Free for non-commercial

Fonte di riferimento — nessuna API pubblica. Apri nella banca dati esterna:

🔗 IR/NMR/MS (SDBS) →
📚 SDBSWeb: https://sdbs.db.aist.go.jp (AIST, Japan)
JP Monograph Japanese Pharmacopoeia — Monographs
Reference only

Fonte di riferimento — nessuna API pubblica. Apri nella banca dati esterna:

🔗 JP Monograph →
📚 Japanese Pharmacopoeia 18th Edition (2021)
WHO INN WHO — International Nonproprietary Names
WHO Model Lists (free)

Fonte di riferimento — nessuna API pubblica. Apri nella banca dati esterna:

🔗 WHO INN →
📚 WHO INN Programme
DOAJ DOAJ — Directory of Open Access Journals
OA journal index (mixed)

Fonte di riferimento — nessuna API pubblica. Apri nella banca dati esterna:

🔗 DOAJ →
📚 DOAJ — doaj.org

I dati vengono scaricati una sola volta (parser JCAMP-DX) e salvati nel database locale del plugin. Nessun download duplicato, nessuna query a NIST alle aperture successive. Licenze rispettate (vengono pubblicati solo un deep link e una visualizzazione propria).

🔬 Spettri interattivi (live — NIST / MoNA / NMRShiftDB / SDBS) (2)

Dati recuperati in tempo reale da più fonti (priority-chain). JCAMP-DX / CSV / PNG disponibili per il download sotto ogni spettro.

IR — infrarosso in trasformata di Fourier

Caricamento IR — infrarosso in trasformata di Fourier…

MS — spettrometria di massa (EI 70eV)

Caricamento MS — spettrometria di massa (EI 70eV)…

Proprietà strutturali

Caricamento dei dati strutturali...

❓ Domande frequenti (3)
What is 121-33-5?
121-33-5 (CAS 121-33-5) is a chemical compound. The chemical data comes from PubChem (National Institutes of Health, USA).
Utile?
What is the CAS number of 121-33-5?
The CAS number for 121-33-5 is 121-33-5. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.
Utile?
How should 121-33-5 be stored?
121-33-5 should be stored as its safety data sheet directs \— typically in a dry, cool, well-ventilated place, away from heat and from materials it is incompatible with.
Utile?
➕ Suggerisci una domanda
Scarica i file di struttura

File di struttura molecolare dal database PubChem (NIH). Compatibili con i programmi: Avogadro, PyMOL, Jmol, ChemDraw.

Fonte: PubChem, National Library of Medicine (NIH). CID: 1183

🔄 Convertitore di unità di concentrazione LIVE

Inserisci la concentrazione Vanillin in qualsiasi unità — il resto verrà calcolato automaticamente.

MW: 152.15 g/mol · IUPAC Gold Book ↗

⚗️ Formule di conversione + citazioni (per formula)
ConversionFormulaAccuratezzaSource
% (w/v) ↔ molarityc (mol/L) = (% × 10) / MW±0.5% rel. when density ≈ 1.0 g/mLIUPAC (2019)
millimolar ↔ molarc (mol/L) = mM × 10⁻³ExactCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
molarity (mol/L)c = n/V = (m/MW)/V±0.1% (depends on MW precision)IUPAC (2019)
parts per million (mg/L) ↔ molarityc (mol/L) = ppm / (1000 × MW); equivalently ppm = mg/L for dilute aqueous±1% (density-independent for dilute solutions)IUPAC (2019)
mg/mL ↔ molarityc (mol/L) = (mg/mL × 1000) / MW / 1000 = mg/mL / MW × 1±0.2%Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
g/L ↔ molarityc (mol/L) = (g/L) / MW±0.1% (depends on MW precision)Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
mmol/L ↔ molarityc (mol/L) = mmol/L × 10⁻³ExactCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
Celsius ↔ KelvinT(K) = t(°C) + 273.15±0.01 K (ITS-90 scale)BIPM (Bureau International des Poids et Mesures) (2019)
Celsius ↔ FahrenheitT(°F) = T(°C) × 9/5 + 32±0.1 °FThompson A, Taylor BN (2008)
density-corrected % ↔ molarityc (mol/L) = (%w/w × ρ × 10) / MW, ρ in g/mL±0.1% when ρ known to 3 decimalsCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
📚 Bibliografia (8 fonti autorevoli)
  1. Thompson A, Taylor BN (2008). Guide for the Use of the International System of Units (SI). NIST Special Publication 811 · DOI: 10.6028/NIST.SP.811-2008
    → Primary SI standard for US scientific usage
  2. Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007). Quantities, Units and Symbols in Physical Chemistry — The IUPAC Green Book. RSC Publishing, 3rd ed. · DOI: 10.1039/9781847557889 · ISBN: 978-0-85404-433-7
    → Canonical IUPAC guide for chemistry quantities/units
  3. BIPM (Bureau International des Poids et Mesures) (2019). The International System of Units (SI), 9th edition. BIPM · ↗
    → International SI definitions (incl. redefined kilogram 2019)
  4. ISO/IEC (2022). Quantities and units — Part 1: General. International Organization for Standardization — ISO 80000-1:2022 · ↗
    → General rules for physical quantities and units
  5. ISO/IEC (2019). Quantities and units — Part 9: Physical chemistry and molecular physics. International Organization for Standardization — ISO 80000-9:2019 · ↗
    → Concentration / molality / amount-of-substance conventions
  6. Tiesinga E, Mohr PJ, Newell DB, Taylor BN (2021). CODATA recommended values of the fundamental physical constants: 2018. Rev. Mod. Phys. 93(2):025010 · DOI: 10.1103/RevModPhys.93.025010
    → Avogadro, gas constant, molar volume (2019 SI revision)
  7. IUPAC (2019). Compendium of Chemical Terminology — the IUPAC Gold Book (online). IUPAC · DOI: 10.1351/goldbook
    → Definitions of mass fraction, molality, normality, ppm, activity
  8. Mills IM, Cvitaš T, Homann K, Kallay N, Kuchitsu K (1988). Quantities, Units and Symbols in Physical Chemistry. Blackwell Scientific Publications, 1st ed. · ISBN: 0-632-01773-5
    → Historical predecessor of IUPAC Green Book
Strutture molecolari simili

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🧪 Procedura guidata di preparazione della soluzione WIZARD
① Seleziona la concentrazione
② Volume finale
③ Solvente

Calcoli secondo: IUPAC Gold Book ↗, Merck ↗

Chimica computazionale

Caricamento dei dati computazionali...

🛡️ Sicurezza — CAS 121-33-5
Avviso sulle limitazioni dei dati. Le informazioni sulla sicurezza contenute in questa pagina hanno carattere informativo e non sostituiscono la scheda di dati di sicurezza (SDS) completa. Prima di utilizzare il prodotto, consultare la scheda di dati di sicurezza aggiornata del produttore e le linee guida GHS/CLP. La classificazione CLP riguarda la sostanza pura bulk, non i preparati commerciali.

Classificazione GHS/CLP — Regolamento (CE) n. 1272/2008 + UN GHS Rev. 9 (2021).

⚠ Attenzione (Warning)
GHS07 — Irritante / nocivo
GHS07 Irritante / nocivo
GHS09 — Pericolo per l'ambiente
GHS09 Pericolo per l'ambiente

🚨 Indicazioni di pericolo (H)

  • H319 — Provoca grave irritazione oculare.
  • H302 — Nocivo se ingerito.
  • H411 — Tossico per gli organismi acquatici con effetti di lunga durata.
  • H320 — Provoca irritazione oculare.
  • H402 — Harmful to aquatic life
  • H412 — Nocivo per gli organismi acquatici con effetti di lunga durata.

🛡 Consigli di prudenza (P)

  • P261 — Evitare di respirare la polvere/i fumi/i gas/la nebbia/i vapori/gli aerosol.
  • P264 — Lavare accuratamente … dopo l’uso.

⚠ Classificazione basata sul consenso delle fonti (PubChem / notifiche dei fornitori) — non verificata rispetto alla classificazione armonizzata dell'allegato VI (CLP). L'ambito dei pericoli può essere più ampio della classificazione ufficiale; prima dell'uso verificare con la scheda di dati di sicurezza aggiornata del fornitore.

Traduzioni: Regolamento CLP (CE) 1272/2008, Allegato III e IV. Dati: PubChem/NLM.

📚 Riferimenti scientifici consolidati — Chicago Author-Date 10 sources

Riferimenti raccolti da tutte le schede del Safety Hub. CAS: 121-33-5 · PubChem ↗

  1. Parlament Europejski i Rada UE. 2008. "Regulation (EC) nr 1272/2008 w sprawie klasyfikacji, oznakowania i pakowania substancji (CLP)." Dz.Urz. UE L 353. [↗] GHS, Normative
  2. United Nations Economic Commission for Europe (UNECE). 2021. "Globally Harmonized System of Classification and Labelling of Chemicals (GHS), Ninth Revised Edition." United Nations, Geneva. [↗] GHS
  3. Goldfrank, Lewis R., Robert S. Hoffman, Mary Ann Howland, et al.. 2019. "Goldfrank's Toxicologic Emergencies, 11th ed.." McGraw-Hill Education, New York. ISBN 978-1-25-985961-8. Primo soccorso, Tossicologia
  4. National Institute for Occupational Safety and Health (NIOSH). 2023. "NIOSH Pocket Guide to Chemical Hazards (DHHS Publ. 2005-149)." U.S. Department of Health and Human Services / CDC, Cincinnati, OH. [↗] Primo soccorso, DPI, Tossicologia
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms." CEN, Brussels. [↗] DPI
  6. UNECE. 2023. "European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." United Nations, Geneva. [↗] Smaltimento, Normative
  7. National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗] Stoccaggio
  8. Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗] Stoccaggio
  9. Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. Norme nazionali — Polonia [↗] Smaltimento
  10. International Agency for Research on Cancer (IARC / WHO). 2024. "IARC Monographs on the Identification of Carcinogenic Hazards to Humans — List of Classifications." WHO, Lyon. [↗] Tossicologia

Le schede con riferimenti propri (Emergency, PPE, Storage, Waste) contengono ulteriori voci bibliografiche all'interno delle rispettive sezioni.

📈 Statistica analitica (t-test · RSD · Grubbs · Q-Dixon) ICH Q2

Incolla una serie di misure replicate (CSV oppure un numero per riga). Il calcolatore calcolerà la media, la deviazione standard e il 95% CI, e rileverà gli outlier (Grubbs + Dixon Q).

Separatore: virgola, spazio, tab, nuova riga. Min 3 misurazioni.
📐 Formule statistiche
  • x̄ = Σxᵢ / n — media aritmetica
  • s² = Σ(xᵢ - x̄)² / (n-1) — varianza campionaria
  • s = √s² — deviazione standard
  • RSD% = (s / x̄) × 100% — deviazione standard relativa
  • CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
  • G = |xᵢ - x̄| / s — test di Grubbs
  • Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

Fonte: ICH Q2(R2) Validation of Analytical Procedures · ICH PDF ↗

🧪 Calcolatore di ricette per tamponi UNIQUE
Bibliografia: Valori di pKa da Goldberg NIST 81 · CRC Handbook 100th ed. · Stoll & Blanchard 1990 (DOI)

Scegli un tampone dall'elenco di 20 sistemi popolari → inserisci il pH target → otterrai una ricetta esatta con le masse da pesare.

Passo 1: Scegli un sistema tampone

📜 Cronologia delle ricette (ultime 10)
📅 Project Planner — Gestore degli esperimenti di laboratorio NOVITÀ

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🧪 Solubilità e compatibilità con i solventi
Molecola
Vanillin
Formula
C8H8O3
logP (XLogP3)
1.20
Massa (g/mol)
152.15
Polarità
Moderata

⚠️ Stima GC (Hoftyzer-Van Krevelen). Nessun dato HSP di letteratura per questo CAS — precisione ±2 MPa½. Verificare sperimentalmente.

Ra < R₀ = good miscibility · Ra < 1,5×R₀ = borderline · above = poor (R₀ — radius of the Hansen sphere of this molecule) For this molecule R₀ = 8..

Solvente Compat. Ra Visuale GC-MS HPLC Applications Riferimenti
Water (H₂O)11 g/L (pomiar)—
✗ NoA (aqueous) (RP)
buffercell cultureanalyticalextraction (hydrophilic)
Ethanol (EtOH)——no basis✗ NoA/B modifier (RP/NP)
extractionspectroscopy (UV-Vis)synthesisHPLC modifier
Methanol (MeOH)——no basis✗ NoA/B (RP) (RP)
HPLC (eluent)LC-MSKarl FischerUV-transparent to 205 nm
Acetone——no basis✗ NoB modifier (NP)
GC headspacecrystallisationdegreasingsynthesis
Acetonitrile (ACN)——no basis✗ NoB (RP) (RP)
HPLC eluent (gold standard)LC-MS (low UV cut-off, 190 nm)peptide analysis
DMSO——no basis✗ NoN/A (N/A)
NMR (d6-DMSO)cell biology (cryopreservation)drug deliverysynthesis
THF——no basis✗ NoB (NP) (NP)
GPC/SEC (polymer analysis)Grignard synthesisorganometallics
DCM (CH₂Cl₂)——no basis✓ YesB (NP) (NP)
extractionNP-HPLCGC-MScrystallisation (anti-solvent)
Chloroform (CHCl₃)——no basis✓ YesN/A (toxic) (N/A)
NMR (CDCl3)lipid extraction (Folch method)NP-TLC
Hexane——no basis✓ YesA (NP) (NP)
NP-HPLCoil extraction (lipids)GC-MSTLC (NP)
Toluene——no basis✓ YesB (NP) (NP)
NMR (d8-toluene)synthesisazeotropic drying (Dean-Stark)
📚 Riferimenti scientifici per i solventi (Chicago Author-Date) — clicca per espandere

11 solvents · 54 full citations (NIST/CRC/IARC/Hansen/Reichardt/Smallwood/Wypych/Armarego/Snyder/GESTIS) — below.

Water (H₂O)
  1. NIST — NIST Chemistry WebBook — Water (CAS 7732-18-5)
  2. CRC — CRC Handbook of Chemistry and Physics, 104th ed., Sec. 8 (Properties of Water)
  3. IAPWS — IAPWS Release on Static Dielectric Constant of Water
  4. Reichardt 2011 — Solvents and Solvent Effects in Organic Chemistry
  5. GESTIS — GESTIS Substance Database — Water
Ethanol (EtOH)
  1. NIST — NIST Chemistry WebBook — Ethanol (CAS 64-17-5)
  2. CRC — CRC Handbook — Ethanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — Ethanol eluotropic
  4. Smallwood — Handbook of Organic Solvent Properties — Ethanol
  5. GESTIS — GESTIS Substance Database — Ethanol
Methanol (MeOH)
  1. NIST — NIST Chemistry WebBook — Methanol (CAS 67-56-1)
  2. CRC — CRC Handbook — Methanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — MeOH eluotropic, eo=0.95
  4. GESTIS — GESTIS Substance Database — Methanol
Acetone
  1. NIST — NIST Chemistry WebBook — Acetone (CAS 67-64-1)
  2. CRC — CRC Handbook — Acetone physical & thermodynamic constants
  3. Hansen 2007 — Hansen Solubility Parameters — Acetone (dD=15.5, dP=10.4, dH=7.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Acetone
  5. GESTIS — GESTIS Substance Database — Acetone
Acetonitrile (ACN)
  1. NIST — NIST Chemistry WebBook — Acetonitrile (CAS 75-05-8)
  2. CRC — CRC Handbook — Acetonitrile constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — ACN gold-standard HPLC eluent
  4. Reichardt 2011 — Solvents and Solvent Effects — ACN dipolar aprotic
  5. GESTIS — GESTIS Substance Database — Acetonitrile
DMSO
  1. NIST — NIST Chemistry WebBook — DMSO (CAS 67-68-5)
  2. Wypych 2019 — Handbook of Solvents Vol. 1 — DMSO comprehensive properties
  3. Hansen 2007 — HSP — DMSO (dD=18.4, dP=16.4, dH=10.2)
  4. Reichardt 2011 — Solvents and Solvent Effects — DMSO E_T(30)=45.1, dipolar aprotic
  5. GESTIS — GESTIS Substance Database — DMSO
THF
  1. NIST — NIST Chemistry WebBook — THF (CAS 109-99-9)
  2. Armarego 2009 — Purification of Laboratory Chemicals — THF drying & peroxide test
  3. Hansen 2007 — Hansen Solubility Parameters — THF (dD=16.8, dP=5.7, dH=8.0)
  4. Smallwood — Handbook of Organic Solvent Properties — THF
  5. GESTIS — GESTIS Substance Database — Tetrahydrofuran
DCM (CH₂Cl₂)
  1. NIST — NIST Chemistry WebBook — Dichloromethane (CAS 75-09-2)
  2. IARC 71 — IARC Monograph 71 — DCM (Group 2A carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — DCM (dD=18.2, dP=6.3, dH=6.1)
  4. Reichardt 2011 — Solvents and Solvent Effects — DCM polarity index
  5. GESTIS — GESTIS Substance Database — Dichloromethane
Chloroform (CHCl₃)
  1. NIST — NIST Chemistry WebBook — Chloroform (CAS 67-66-3)
  2. IARC 73 — IARC Monograph 73 — Chloroform (Group 2B carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — CHCl3 (dD=17.8, dP=3.1, dH=5.7)
  4. Reichardt 2011 — Solvents and Solvent Effects — CHCl3 H-bond donor strength
  5. GESTIS — GESTIS Substance Database — Chloroform
n-Hexane
  1. NIST — NIST Chemistry WebBook — n-Hexane (CAS 110-54-3)
  2. ATSDR n-Hexane — ATSDR Toxicological Profile for n-Hexane — neuropatia obwodowa (n-Heksan NIE jest kancerogenem IARC)
  3. Hansen 2007 — Hansen Solubility Parameters — n-Hexane (dD=14.9, dP=0, dH=0)
  4. Snyder & Kirkland — Modern Liquid Chromatography — n-Hexane NP standard, eo=0.00
  5. GESTIS — GESTIS Substance Database — n-Hexane
Toluene
  1. NIST — NIST Chemistry WebBook — Toluene (CAS 108-88-3)
  2. IARC 71 — IARC Monograph 71 — Toluene
  3. Hansen 2007 — Hansen Solubility Parameters — Toluene (dD=18.0, dP=1.4, dH=2.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Toluene
  5. GESTIS — GESTIS Substance Database — Toluene
Teoria della solubilità (applicata nella previsione della compatibilità):
  1. Yalkowsky, Samuel H., and Shri C. Valvani. 1980. "Solubility and Partitioning I: Solubility of Nonelectrolytes in Water." Journal of Pharmaceutical Sciences 69 (8): 912–922. https://doi.org/10.1002/jps.2600690814 — General Solubility Equation (GSE): logS = 0.5 − logP − 0.01(MP−25).
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. CRC Press. https://doi.org/10.1201/9781420006834 — Tripletta HSP (dD, dP, dH) + formula Ra.
  3. Stefanis, E., and C. Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." Int J Thermophys 29: 568–585. https://doi.org/10.1007/s10765-008-0415-z
  4. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Wiley-VCH. https://doi.org/10.1002/9783527632220 — E_T(30) polarity scale, solwatochromia.
  5. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Wiley. https://doi.org/10.1002/9780470508183 — Eluotropic series, polarity index.
  6. Van Krevelen, D. W., and K. Te Nijenhuis. 2009. Properties of Polymers. 4th ed. Elsevier. https://doi.org/10.1016/B978-0-08-054819-7.X0001-5 — Hoftyzer–Van Krevelen group contribution dla dD/dP/dH z SMILES.
  7. Marcus, Yizhak. 1998. The Properties of Solvents. Wiley Series in Solution Chemistry, Vol. 4. ISBN 9780471983699 — Set tabulare completo di 250+ solventi (ε, μ, donicità, numeri di accettore).
  8. PubChem Compound Database — CAS 121-33-5 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Bibliografia completa nell'accordion RIFERIMENTI (in fondo alla pagina) — Chicago Manual of Style 17th ed., Author-Date.

⚗️ Verifica la compatibilità della reazione
2 0 0
Salute: 2/4
Infiammabilità: 0/4
Reattività: 0/4
Secondo NFPA 704 / calcolato dai codici H

Verifica se Vanillin è compatibile con un altro reagente

📦 Matrice di compatibilità di stoccaggio
Acidi Bases Ossidanti Infiammabile Tossico Gazy
Acidi ✓ ✗ ✗ ✗ ⚠ ✗
Bases ✗ ✓ ⚠ ⚠ ⚠ ⚠
Ossidanti ✗ ⚠ ✓ ✗ ⚠ ✗
Infiammabile ✗ ⚠ ✗ ✓ ⚠ ✗
Tossico ⚠ ⚠ ⚠ ⚠ ✓ ⚠
Gazy ✗ ⚠ ✗ ✗ ⚠ ✓
✓ Conservabili insieme · ⚠ Attenzione · ✗ NON conservare insieme · OSHA Chemical Segregation ↗

Dati di compatibilità da: Bretherick's Handbook (7th ed.) ↗, GESTIS ↗, ECHA REACH ↗, NFPA 704 ↗

🧮 Calcolatori da laboratorio (8)
Dilution (C₁V₁=C₂V₂)
Molarità (M=n/V)
Tampone pH (Henderson-Hasselbalch)
Beer-Lambert (A=εcl)
Massa → Moli
Concentration % → M
ppm → mg/L
Temperature C↔F↔K

Formule verificate: IUPAC Gold Book ↗, DOI ↗

📊 Database di spettri spettroscopici
📋 Generatore di protocolli di laboratorio

Protocollo generato sulla base di: GHS SDS, Aldrich Lab Guide ↗

🏷️ Generatore di etichette (QR)
Vanillina• vanillin / 4-Hydroxy-3-methoxybenzaldehyde• IUPAC: 4-hydroxy-3-methoxybenzaldehyde• CAS: 121-33-5• EC: 204-465-2• Formula: C8H8O3• Massa: 152.15 g/molATTENZIONEINDICAZIONI DI PERICOLO GHS:(autoclassificazione dei fornitori — non vincolante)H319 H302 H411P301+P317 P302+P352 P305+P351+P338 P333+P317 P337+P317 P362+P364 P321P330 P391 P280 P501 P261 P264+P265 P264 P270 P272 P273Nonsensia Ltd124-128 City Road, EC1V 2NX London[email protected]molgod.orgN. lotto: Massa netta:
Deskryptory Lipinskiego (struktura)
Caricamento delle predizioni ADMET…
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📚 Panoramica della letteratura scientifica — CAS 121-33-5
⭐ Risultati principali (letteratura scientifica) 9 publications
🏆 CAS 121-33-5 — multi-criteria ranking (W12): 30% citazioni · 20% recency · 20% topic · 15% historical · 15% open access.
  1. #1
    Stoff H (2024) · NTM
    Perché è importante: Recente (2024) · open access
    SCORE 6.25 Meccanismo Open Access DOI ↗ PubMed ↗
  2. #2
    Santos LDF, Lautru S, Pernodet JL (2024) · Biomolecules
    Perché è importante: Recente (2024) · rassegna · open access
    SCORE 6.25 Rassegna Open Access DOI ↗ PubMed ↗
  3. #3
    Zhang M, Subramaniyan S, Hakkarainen M (2025) · Macromolecular rapid communications
    Perché è importante: Recente (2025) · open access
    SCORE 6.25 Meccanismo Open Access DOI ↗ PubMed ↗
  4. #4
    Kamaly NA, Kamel AS, Sadik NA et al. (2025) · Molecular neurobiology
    Perché è importante: Recente (2025) · open access
    SCORE 6.25 Meccanismo Open Access DOI ↗ PubMed ↗
  5. #5
    Liu Y, Sun L, Huo YX et al. (2023) · Microbial cell factories
    Perché è importante: Recente (2023) · rassegna · open access
    SCORE 6.15 Rassegna Open Access DOI ↗ PubMed ↗
  6. #6
    Rakoczy K, Szlasa W, Saczko J et al. (2021) · Advances in clinical and experimental medicine : official organ Wroclaw Medical University
    Perché è importante: Rassegna · open access
    SCORE 5.55 Rassegna Open Access DOI ↗ PubMed ↗
  7. #7
    Ma Q, Liu L, Zhao S et al. (2022) · World journal of microbiology & biotechnology
    Perché è importante: Rassegna
    SCORE 5.2 Rassegna DOI ↗ PubMed ↗
  8. #8
    Abdelghafour AM, Mahrous M, Zaher ME (2025) · Food & function
    Perché è importante: Recente (2025)
    SCORE 4 Meccanismo DOI ↗ PubMed ↗
  9. #9
    Kojder PL, Erickson CL (2021) · Dermatitis : contact, atopic, occupational, drug
    Perché è importante: Selezionate tramite punteggio multi-criterio (citations + recency + topic + historical + OA).
    SCORE 3.3 Meccanismo DOI ↗ PubMed ↗

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For vanillin (CAS 121-33-5) the documentation obligation begins before the first shipment. This page sets out what the safety data sheet has to establish.

vanillin (CAS 121-33-5) at a glance

  • Substance – vanillin
  • CAS number – 121-33-5
  • EC number – 204-465-2
  • CLP Annex VI – no harmonised entry
  • Classification basis – self-classification from aggregated ECHA C&L Inventory notifications (CLP Art. 4(3))
  • Documentation issued – safety data sheet in REACH Annex II structure; working draft or signed card
  • What is supplied – a document. MolGod.org does not sell, supply or ship chemical substances.

What is the CLP classification of vanillin?

Vanillin has no harmonised entry in CLP Annex VI, so there is no binding classification to copy. The sheet carries the classification derived from aggregated notifications in the ECHA C&L Inventory and states that basis in section 2; the importer remains responsible for confirming it against the manufacturer’s data.

Disposal route and waste classification

Disposal of vanillin and of its packaging is section 13, and it has to align with the classification: a substance with an aquatic hazard cannot be routed to drain, and the waste code assigned by the holder follows from the hazard profile, not from convenience.

How is vanillin classified for road, sea and air transport?

Section 14 for CAS 121-33-5 carries the UN number, proper shipping name, class, packing group and environmental hazard where these apply. Where the substance is not dangerous for carriage, the section says so explicitly rather than being left empty — an empty section 14 reads as an omission, not as an absence of hazard.

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Related products

📄 Certificati di Analisi (CoA) CAS 121-33-5 nessuno

Nessun certificato per questo prodotto nel database.

📚 Riferimenti scientifici (Chicago Author-Date) — fare clic per espandere

Standard di gestione dei lotti e di certificazione di laboratorio — 13 fonti indipendenti (ICH Q1/Q3/Q6/Q7/Q10 + ISO 17025 + WHO TRS + 21 CFR 211 + EMA + USP + Ph.Eur. + PIC/S + IPEC-PQG).

  1. International Council for Harmonisation (ICH). 2000. "Q7 Good Manufacturing Practice Guide for Active Pharmaceutical Ingredients." ICH Expert Working Group. [link ↗] — GMP for APIs — adopted by EMA, FDA, MHLW
  2. International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories." ISO. [link ↗] — Lab accreditation standard underpinning every CoA
  3. World Health Organization. 2010. "WHO Good Manufacturing Practices for Pharmaceutical Products: Main Principles (WHO Technical Report Series No. 957, Annex 3)." WHO Press. [link ↗] — WHO TRS No. 957 — global reference for GMP
  4. International Council for Harmonisation (ICH). 2003. "ICH Q1A(R2): Stability Testing of New Drug Substances and Products." International Council for Harmonisation. [link ↗] — Source for batch shelf-life and retest dating
  5. International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. [link ↗]
  6. International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. [link ↗] — CoA acceptance-criteria specification standard
  7. International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. [link ↗]
  8. U.S. Food and Drug Administration. 2024. "21 CFR Part 211: Current Good Manufacturing Practice for Finished Pharmaceuticals." US Code of Federal Regulations. [link ↗] — US legal mandate (Subpart J — Records and Reports)
  9. European Medicines Agency. 2014. "Guideline on Process Validation for Finished Products — Information and Data to Be Provided EMA/CHMP/CVMP/QWP/BWP/70278/2012." European Medicines Agency. [link ↗]
  10. United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. [link ↗]
  11. European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. [link ↗]
  12. Pharmaceutical Inspection Co-operation Scheme (PIC/S). 2021. "Guide to Good Manufacturing Practice for Medicinal Products PE 009-15." PIC/S Secretariat, Geneva. [link ↗] — Cross-recognized GMP for 54 inspectorates worldwide
  13. International Pharmaceutical Excipients Council (IPEC) and Pharmaceutical Quality Group (PQG). 2017. "Joint IPEC-PQG Good Manufacturing Practices Guide for Pharmaceutical Excipients." IPEC-Americas. [link ↗] — Excipient-grade CoA standard for non-API ingredients
📜 Brevetti (metadati pubblici) nessun dato

Attualmente non sono stati trovati metadati brevettuali pubblici per questa sostanza in Crossref / OpenAlex. I dati verranno aggiornati automaticamente dopo il prossimo aggiornamento della cache (24h).

📚 Riferimenti (Chicago Author-Date) — fare clic per espandere
  1. Zhang M, Subramaniyan S, Hakkarainen M. (2025). "Divanillin Cross-Linked Recyclable Cellulose Networks.". Macromolecular rapid communications. https://doi.org/10.1002/marc.202401094
  2. Kamaly NA, Kamel AS, Sadik NA et al.. (2025). "Milnacipran and Vanillin Alleviate Fibromyalgia-Associated Depression in Reserpine-Induced Rat Model: Role of Wnt/β-Catenin Signaling.". Molecular neurobiology. https://doi.org/10.1007/s12035-025-04723-w
  3. Abdelghafour AM, Mahrous M, Zaher ME. (2025). "Vanillin alleviates oxidative stress-mediated neuronal pyroptosis induced in rats by isoproterenol via SIRT1/NOX4/ROS/TXNIP/NLRP3 signaling pathway.". Food & function. https://doi.org/10.1039/d4fo06458e
  4. Santos LDF, Lautru S, Pernodet JL. (2024). "Genetic Engineering Approaches for the Microbial Production of Vanillin.". Biomolecules. https://doi.org/10.3390/biom14111413
  5. Stoff H. (2024). "Paulina S. Gennermann 2023: Eine Geschichte mit Geschmack. Die Natur synthetischer Aromastoffe im 20. Jahrhundert am Beispiel Vanillin und Lisa Haushofer 2022: Wonder Foods: The Science and Commerce of Nutrition.". NTM. https://doi.org/10.1007/s00048-024-00384-3
  6. Liu Y, Sun L, Huo YX et al.. (2023). "Strategies for improving the production of bio-based vanillin.". Microbial cell factories. https://doi.org/10.1186/s12934-023-02144-9
  7. Ma Q, Liu L, Zhao S et al.. (2022). "Biosynthesis of vanillin by different microorganisms: a review.". World journal of microbiology & biotechnology. https://doi.org/10.1007/s11274-022-03228-1
  8. Rakoczy K, Szlasa W, Saczko J et al.. (2021). "Therapeutic role of vanillin receptors in cancer.". Advances in clinical and experimental medicine : official organ Wroclaw Medical University. https://doi.org/10.17219/acem/139398
  9. Kojder PL, Erickson CL. (2021). "Airborne Allergic Contact Dermatitis to Vanillin.". Dermatitis : contact, atopic, occupational, drug. https://doi.org/10.1097/DER.0000000000000677
  10. World Intellectual Property Organization. 2024. "Patent Cooperation Treaty (PCT)." https://www.wipo.int/pct/.
  11. U.S. Patent and Trademark Office. 2024. "USPTO Patent Public Search." https://ppubs.uspto.gov/.
  12. European Patent Office. 2024. "Espacenet Patent Search." https://worldwide.espacenet.com/.
  13. Newman, David J., and Gordon M. Cragg. 2020. "Natural Products as Sources of New Drugs over the Nearly Four Decades from 01/1981 to 09/2019." Journal of Natural Products 83 (3): 770-803.
  14. Davies, Mark, Michał Nowotka, George Papadatos, et al. 2015. "ChEMBL Web Services: Streamlining Access to Drug Discovery Data and Utilities." Nucleic Acids Research 43 (W1): W612-W620.
  15. Bickerton, G. Richard, Gaia V. Paolini, Jérémy Besnard, Sorel Muresan, and Andrew L. Hopkins. 2012. "Quantifying the Chemical Beauty of Drugs." Nature Chemistry 4 (2): 90-98.
  16. Meanwell, Nicholas A. 2011. "Synopsis of Some Recent Tactical Application of Bioisosteres in Drug Design." Journal of Medicinal Chemistry 54 (8): 2529-2591.
  17. Ertl, Peter, and Ansgar Schuffenhauer. 2009. "Estimation of Synthetic Accessibility Score of Drug-Like Molecules Based on Molecular Complexity and Fragment Contributions." Journal of Cheminformatics 1: 8.
  18. Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
  19. Allison, John R., and Mark A. Lemley. 1998. "Empirical Evidence on the Validity of Litigated Patents." AIPLA Quarterly Journal 26 (3): 185-275.
  20. Patani, George A., and Edmond J. LaVoie. 1996. "Bioisosterism: A Rational Approach in Drug Design." Chemical Reviews 96 (8): 3147-3176.
  21. Lerner, Josh. 1994. "The Importance of Patent Scope: An Empirical Analysis." RAND Journal of Economics 25 (2): 319-333.

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📚 RIFERIMENTI (Bibliografia complessiva, Chicago Author-Date) 77 elementi

Tutte le fonti scientifiche citate negli accordion sopra per il CAS 121-33-5.Formato: Chicago Manual of Style 17ª ed., sistema Author-Date.

🗄️ Banche dati scientifiche

  1. NIST. n.d. NIST Chemistry WebBook: CAS 121-33-5. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=121-33-5.
  2. AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 121-33-5. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/.
  3. Linstrom, Peter J., and William G. Mallard, eds. n.d. NIST Chemistry WebBook: NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. https://doi.org/10.18434/T4D303.
  4. PubChem. n.d. PubChem Compound Summary: CAS 121-33-5. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=121-33-5.

📐 Standard / Linee guida

  1. ICH. 2003. "Stability Testing of New Drug Substances and Products: Q1A(R2)." Geneva: International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf.
  2. National Fire Protection Association (NFPA). 2024. "NFPA 30: Flammable and Combustible Liquids Code." NFPA, Quincy, MA. https://www.nfpa.org/codes-and-standards/all-codes-and-standards/list-of-codes-and-standards/detail?code=30.
  3. Occupational Safety and Health Administration (OSHA). 2023. "29 CFR 1910.106 — Flammable Liquids." U.S. Department of Labor, Federal Register. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.106.
  4. European Chemicals Agency (ECHA). 2024. "Annex VI to Regulation (EC) No 1272/2008 (CLP) — Harmonised Classification and Labelling." ECHA, Helsinki / Official Journal of the European Union. https://echa.europa.eu/regulations/clp/clp-classification.
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms — Part 1: Terminology and performance requirements for chemical risks." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=205:110:::::FSP_PROJECT,FSP_ORG_ID:38536,6080&cs=1B0DAA8B85DF42E4A2C70E5D71F0BFA32.
  6. European Committee for Standardization (CEN). 2001. "EN 166:2001 — Personal eye-protection — Specifications." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:6541&cs=1F1A4E0A78C4DB6A28DBE2E8C29D89DCF.
  7. European Committee for Standardization (CEN). 2009. "EN 14605:2005+A1:2009 — Protective clothing against liquid chemicals — Performance requirements for clothing with liquid-tight (Type 3) or spray-tight (Type 4) connections." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:21581&cs=1A04A2D3C7CC58E9E6CB58D55F7EBFB7E.
  8. National Institute for Occupational Safety and Health (NIOSH). 2017. "Recommendations for Chemical Protective Clothing: A Companion to the NIOSH Pocket Guide." U.S. Department of Health & Human Services / CDC. https://www.cdc.gov/niosh/ncpc/default.html.
  9. Occupational Safety and Health Administration (OSHA). 2011. "Personal Protective Equipment — General requirements." U.S. Department of Labor — 29 CFR 1910.132. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.132.

📖 Libri

  1. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook, 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/Hansen-Solubility-Parameters-A-Users-Handbook/Hansen/p/book/9780849372483.
  2. Barton, Allan F. M. 1991. CRC Handbook of Solubility Parameters and Other Cohesion Parameters: 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/CRC-Handbook-of-Solubility-Parameters-and-Other-Cohesion-Parameters/Barton/p/book/9780849301766.
  3. Connors, Kenneth A., Gordon L. Amidon, and Valentino J. Stella. 1986. Chemical Stability of Pharmaceuticals: A Handbook for Pharmacists, 2nd ed.. New York: Wiley. https://doi.org/10.1002/0471734683.
  4. Rumble, John R., ed. 2019. CRC Handbook of Chemistry and Physics: 100th Edition. Boca Raton, FL: CRC Press. https://hbcp.chemnetbase.com/.
  5. Urben, Peter G. 2017. Bretherick's Handbook of Reactive Chemical Hazards, 8th Edition. Academic Press / Elsevier, Oxford. https://www.sciencedirect.com/book/9780081010594.

📄 Articoli scientifici (peer-reviewed)

  1. Stefanis, Emmanuel, and Costas Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." International Journal of Thermophysics 29: 568-585. https://doi.org/10.1007/s10765-008-0415-z.
  2. Stoll, Vincent S., and John S. Blanchard. 1990. "Buffers: Principles and Practice: In Methods in Enzymology, vol. 182." San Diego: Academic Press. https://doi.org/10.1016/0076-6879(90)82008-P.

🌐 Siti web

  1. ECHA. 2023. "Guidance on the Application of the CLP Criteria." European Chemicals Agency. https://echa.europa.eu/guidance-documents/guidance-on-clp.
  2. European Parliament. 2006. "Regulation (EC) No 1907/2006 (REACH)." Official Journal of the European Union L 396: 1–849.
  3. ECHA. 2023. "Candidate List of Substances of Very High Concern for Authorisation." European Chemicals Agency. https://echa.europa.eu/candidate-list-table.
  4. European Parliament. 2008. "Regulation (EC) No 1272/2008 on Classification, Labelling and Packaging of Substances and Mixtures (CLP)." Official Journal of the European Union L 353: 1–1355.
  5. ECHA. 2017. "Guidance on the Compilation of Safety Data Sheets." Version 3.1. European Chemicals Agency. ECHA-17-G-01-EN. https://echa.europa.eu/documents/10162/23047722/sds_en.pdf.
  6. ECHA. 2022. "Restrictions Under REACH — Annex XVII." European Chemicals Agency. https://echa.europa.eu/substances-restricted-under-reach.
  7. United Nations. 2021. Globally Harmonized System of Classification and Labelling of Chemicals (GHS). 9th revised ed. ST/SG/AC.10/30/Rev.9. New York and Geneva: United Nations. https://unece.org/ghs-rev9-2021.
  8. ECHA. 2020. "Understanding REACH." European Chemicals Agency. https://echa.europa.eu/regulations/reach/understanding-reach.
  9. United States Pharmacopeial Convention. 2024. "USP <621> Chromatography." In United States Pharmacopeia and National Formulary, USP 47-NF 42. Rockville, MD: USP. https://www.uspnf.com/.
  10. European Pharmacopoeia Commission. 2024. "2.2.46 Chromatographic Separation Techniques." In European Pharmacopoeia, 11th ed. Strasbourg: Council of Europe — EDQM. https://www.edqm.eu/en/european-pharmacopoeia-ph-eur-11th-edition.
  11. International Council for Harmonisation (ICH). 2022. "ICH Q2(R2): Validation of Analytical Procedures." International Council for Harmonisation. https://database.ich.org/sites/default/files/ICH_Q2%28R2%29_Guideline_2022_1130.pdf.
  12. International Council for Harmonisation (ICH). 1996. "ICH Q3A: Impurities in New Drug Substances." International Council for Harmonisation. https://database.ich.org/sites/default/files/Q3A%28R2%29%20Guideline.pdf.
  13. International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General Requirements for the Competence of Testing and Calibration Laboratories." Geneva: ISO. https://www.iso.org/standard/66912.html.
  14. Kolthoff, Izaak Maurits, and Philip J. Elving, eds. 1978. Treatise on Analytical Chemistry, Part I: Theory and Practice. 2nd ed. New York: Wiley-Interscience.
  15. Skoog, Douglas A., F. James Holler, and Stanley R. Crouch. 2018. Principles of Instrumental Analysis. 7th ed. Boston: Cengage Learning.
  16. Christian, Gary D., Purnendu K. Dasgupta, and Kevin A. Schug. 2014. Analytical Chemistry. 7th ed. Hoboken, NJ: Wiley.
  17. EURACHEM/CITAC. 2012. "Quantifying Uncertainty in Analytical Measurement." 3rd ed. EURACHEM/CITAC Guide CG 4. https://www.eurachem.org/images/stories/Guides/pdf/QUAM2012_P1.pdf.
  18. International Organization for Standardization. 1994. "ISO 5725-2:1994 Accuracy (Trueness and Precision) of Measurement Methods and Results — Part 2: Basic Method for the Determination of Repeatability and Reproducibility of a Standard Measurement Method." Geneva: ISO. https://www.iso.org/standard/11834.html.
  19. Heckert, N. A., and J. J. Filliben. 2003. "NIST/SEMATECH e-Handbook of Statistical Methods." NIST Handbook 151. Gaithersburg, MD: National Institute of Standards and Technology. https://www.itl.nist.gov/div898/handbook/.
  20. Grubbs, Frank E. 1950. "Sample Criteria for Testing Outlying Observations." Annals of Mathematical Statistics 21 (1): 27–58.
  21. Dixon, Wilfrid J. 1950. "Analysis of Extreme Values." Annals of Mathematical Statistics 21 (4): 488–506.
  22. Snedecor, George W., and William G. Cochran. 1989. Statistical Methods. 8th ed. Ames, IA: Iowa State University Press.
  23. Student [William Sealy Gosset]. 1908. "The Probable Error of a Mean." Biometrika 6 (1): 1–25.
  24. International Organization for Standardization. 2005. "ISO 3534-1:2006 Statistics — Vocabulary and Symbols — Part 1: General Statistical Terms and Terms Used in Probability." Geneva: ISO. https://www.iso.org/standard/40145.html.
  25. Thompson, Michael, Stephen L. R. Ellison, and Roger Wood. 2002. "Harmonized Guidelines for Single-Laboratory Validation of Methods of Analysis." Pure and Applied Chemistry 74 (5): 835–855.
  26. United Nations Economic Commission for Europe. 2024. European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR), Applicable as from 1 January 2025 (ECE/TRANS/352). Geneva: UNECE. https://unece.org/transport/dangerous-goods/adr-2025-edition.
  27. International Air Transport Association. 2026. Dangerous Goods Regulations (DGR). 67th ed. Montreal: IATA. https://www.iata.org/en/programs/cargo/dgr/.
  28. International Maritime Organization. 2024. International Maritime Dangerous Goods (IMDG) Code, 2024 Edition (Amendment 42-24). London: IMO. https://www.imo.org/en/OurWork/Safety/Pages/DangerousGoods-default.aspx.
  29. United Nations. 2025. Recommendations on the Transport of Dangerous Goods: Model Regulations (Orange Book). 24th revised ed. ST/SG/AC.10/1/Rev.24. New York and Geneva: United Nations. https://unece.org/transport/dangerous-goods/un-model-regulations.
  30. International Civil Aviation Organization. 2025. Technical Instructions for the Safe Transport of Dangerous Goods by Air (Doc 9284). 2025–2026 ed. Montreal: ICAO. https://www.icao.int/safety/DangerousGoods/Pages/technical-instructions.aspx.
  31. European Commission. 2014. "Commission Decision 2014/955/EU on the list of waste pursuant to Directive 2008/98/EC." Official Journal of the European Union. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32014D0955.
  32. Ministerstwo Klimatu i Środowiska Rzeczypospolitej Polskiej. 2020. "Rozporządzenie Ministra Klimatu z dnia 2 stycznia 2020 r. w sprawie katalogu odpadów." Dziennik Ustaw RP 2020 poz. 10. https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20200000010. Norme nazionali — Polonia
  33. Główny Inspektorat Ochrony Środowiska (GIOŚ). 2024. "Baza Danych O Odpadach (BDO) — System rejestracji firm utylizacyjnych." Ministerstwo Klimatu i Środowiska. https://bdo.mos.gov.pl/. Norme nazionali — Polonia
  34. Polska — Sejm RP. 2012. "Ustawa z dnia 14 grudnia 2012 r. o odpadach." Dz.U. 2013 poz. 21 (z późn. zm.). https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20130000021. Norme nazionali — Polonia
  35. Furr, A. Keith, ed.. 2000. "CRC Handbook of Laboratory Safety." CRC Press.
  36. Pohanish, Richard P.. 2017. "Sittig's Handbook of Toxic and Hazardous Chemicals and Carcinogens." Elsevier.
  37. Lewis, Richard J.. 2012. "Sax's Dangerous Properties of Industrial Materials." Wiley.
  38. NIOSH. 2024. "Pocket Guide to Chemical Hazards." U.S. Department of Health and Human Services. https://www.cdc.gov/niosh/npg/.
  39. OSHA. 2024. "Occupational Chemical Database — Hazardous Waste Operations (HAZWOPER)." Occupational Safety and Health Administration. https://www.osha.gov/chemicaldata.
  40. European Parliament and Council. 2008. "Directive 2008/98/EC on waste (Waste Framework Directive)." Official Journal of the European Union L 312/3. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32008L0098.
  41. European Parliament and Council. 2009. "Regulation (EC) No 1272/2008 (CLP) on classification, labelling and packaging of substances and mixtures." Official Journal of the European Union L 353. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32008R1272.
  42. United Nations Economic Commission for Europe (UNECE). 2023. "European Agreement concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." UNECE. https://unece.org/transport/standards/transport/dangerous-goods/adr-2025.
  43. IPCS INCHEM. 2024. "International Programme on Chemical Safety — Waste Management Guidelines." WHO/UNEP/ILO. https://www.inchem.org/.
  44. European Parliament and Council. 2006. "Regulation (EC) No 1013/2006 on Shipments of Waste." Official Journal of the European Union L 190: 1–98. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32006R1013.
  45. International Council for Harmonisation (ICH). 2000. "Q7 Good Manufacturing Practice Guide for Active Pharmaceutical Ingredients." ICH Expert Working Group. https://database.ich.org/sites/default/files/Q7%20Guideline.pdf.
  46. International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories." ISO. https://www.iso.org/standard/66912.html.
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  49. International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. https://database.ich.org/sites/default/files/Q3A%28R2%29%20Guideline.pdf.
  50. International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. https://database.ich.org/sites/default/files/Q6A%20Guideline.pdf.
  51. International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. https://database.ich.org/sites/default/files/Q10%20Guideline.pdf.
  52. U.S. Food and Drug Administration. 2024. "21 CFR Part 211: Current Good Manufacturing Practice for Finished Pharmaceuticals." US Code of Federal Regulations. https://www.ecfr.gov/current/title-21/chapter-I/subchapter-C/part-211.
  53. European Medicines Agency. 2014. "Guideline on Process Validation for Finished Products — Information and Data to Be Provided EMA/CHMP/CVMP/QWP/BWP/70278/2012." European Medicines Agency. https://www.ema.europa.eu/en/documents/scientific-guideline/guideline-process-validation-finished-products-information-data-be-provided-regulatory-submissions-revision-1_en.pdf.
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Modello
vanillin · 121-33-5
InChIKey
MWOOGOJBHIARFG-UHFFFAOYSA-N
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Attribuzione
MolGod Scientific — vanillin (CAS 121-33-5)
Scheda di licenza e provenienza
vanillin (CAS 121-33-5) →
Scheda molecolare MolGod
vanillin →
Dati di origine
PubChem CID 1183 ↗
Informazioni sul modello
STL generato da MolGod · MolGod STL Exporter build 97d4498f28a7 · generato il 2026-10-04
SHA-256 (STL)
bf3d41edc5e131288aecf9bc31defe2aea05d6a0337c3add8dd0eaed94bcb338
MD5 (STL)
7ac679ec348b64f50c1bf7b1b32a140a
MolGod Identification Number
MG_862-948-061-70
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Mesh a sfere e bastoncini MolGod Scientific
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