Ethylbenzene — etichetta CAS 100-41-4

ethylbenzene (CAS 100-41-4) — Safety Data Sheet

IARC Gruppo 2B — Possibilmente cancerogena per l'uomo
CAS: 100-41-4 | Fonte IARC

We already hold the harmonised entry for this substance.

  • CAS: 100-41-4
  • Numero indice dell'allegato VI: 601-023-00-4
  • 4 hazard classes: Flam. Liq. 2, Acute Tox. 4 *, Asp. Tox. 1, STOT RE 2
  • Indicazioni di pericolo: H225, H332, H304, H373 (hearing organs)

We have not issued a safety data sheet for it yet.

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Modello 3D Ethylbenzene, CAS 100-41-4, formula molecolare C8H10, massa molare 106.16 g/mol

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📊 Dati chimico-fisici — CAS 100-41-4
📊 Proprietà fisico-chimiche

Riferimento rapido

Formula: C8H10
MW: 106.16 g/mol
CAS: 100-41-4
Aspetto: Liquido incolore
Odore: Odore aromatico
🔬 Proprietà avanzate

Identificatori chimici

SMILES: CCC1=CC=CC=C1

Ultimo aggiornamento: 2026-09-04

Panoramica chimica: Ethylbenzene
Formula molecolareC8H10[1]
Peso molecolare106.16 g/mol[1]
Punto di fusione-95 °C[1][2]
Punto di ebollizione136.2 °C[1][2]
Densità0.9 g/cm³
LogP (lipofilia)3.1[1]
Nome IUPACethylbenzene[1]
SMILESCCC1=CC=CC=C1[1]
InChIKeyYNQLUTRBYVCPMQ-UHFFFAOYSA-N[1]

Sinonimi: ETHYLBENZENE · 100-41-4 · Phenylethane · Ethylbenzol · Benzene, ethyl-

Fonti dei dati: PubChem (NLM/NIH)
Ultimo aggiornamento: 2026-10-11

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

RICERCA SCIENTIFICA

[1]Europe PMC2026
Associations between ambient exposure to styrene, benzene, toluene, ethylbenzene, and xylenes and hospitalizations in the US Gulf region.
et al.. (2026). "Associations between ambient exposure to styrene, benzene, toluene, ethylbenzene, and xylenes and hospitalizations in the US Gulf region.". https://doi.org/10.1016/j.envres.2026.12421
Vai allo studio completo ↗
[2]Europe PMC2025
Highly Selective Adsorption of Para-Xylene, Ethylbenzene, and Explicit Exclusion of Ortho-Xylene from Xylene Isomers Using a Pillar-Layered MOF…
et al.. (2025). "Highly Selective Adsorption of Para-Xylene, Ethylbenzene, and Explicit Exclusion of Ortho-Xylene from Xylene Isomers Using a Pillar-Layered MOF with Tuned Pore Channels.". https://doi
Vai allo studio completo ↗
[3]Europe PMC2025
Oil spill cleanup related exposures to benzene, toluene, ethylbenzene, xylenes, and n-hexane and incident diabetes mellitus.
et al.. (2025). "Oil spill cleanup related exposures to benzene, toluene, ethylbenzene, xylenes, and n-hexane and incident diabetes mellitus.". https://doi.org/10.1016/j.envres.2025.121487
Vai allo studio completo ↗
[4]Europe PMC2025
Chemobiological synthesis of benzene, toluene, ethylbenzene, and xylene from glucose or glycerol.
et al.. (2025). "Chemobiological synthesis of benzene, toluene, ethylbenzene, and xylene from glucose or glycerol.". https://doi.org/10.1073/pnas.2509568122
Vai allo studio completo ↗
[5]Europe PMC2025
Toxicological Response of the BEAS-2B Cell After Acute Exposure at the Air-Liquid Interface to Ethylbenzene and m-Xylene Alone…
et al.. (2025). "Toxicological Response of the BEAS-2B Cell After Acute Exposure at the Air-Liquid Interface to Ethylbenzene and m-Xylene Alone and in Binary Mixtures.". https://doi.org/10.1002/jat.48
Vai allo studio completo ↗
[6]Europe PMC2025
Hypothesis-driven weight of evidence evaluation indicates ethylbenzene lacks endocrine disruption potential by EATS pathways.
(2025). "Hypothesis-driven weight of evidence evaluation indicates ethylbenzene lacks endocrine disruption potential by EATS pathways.". https://doi.org/10.17179/excli2024-7822
Vai allo studio completo ↗
[7]Core2023
Ethylbenzene – Addendum: evaluation of a pregnancy risk group for the BAT value
Drexler, H, Schriever-Schwemmer, G, Hartwig, A et al.. (2023). "Ethylbenzene – Addendum: evaluation of a pregnancy risk group for the BAT value". German Medical Science. https://doi.org/10.34865/bb100
Vai allo studio completo ↗
[8]OpenAlex2023
Health risk assessment of BTEX compounds (benzene, toluene, ethylbenzene and xylene) in different indoor air using Monte Carlo…
Hossein Kamani, Marzieh Baniasadi, Hossein Abdipour et al.. (2023). "Health risk assessment of BTEX compounds (benzene, toluene, ethylbenzene and xylene) in different indoor air using Monte Carlo simu
Vai allo studio completo ↗
📚 Riferimenti scientifici (Chicago Author-Date) 19 refs · 3 baz

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

Fonti: db:Europe PMC (6) · db:core (5) · db:openalex (8)

  1. db:Europe PMC et al.. (2026). "Associations between ambient exposure to styrene, benzene, toluene, ethylbenzene, and xylenes and hospitalizations in the US Gulf region.". https://doi.org/10.1016/j.envres.2026.124217 →
  2. db:Europe PMC et al.. (2025). "Highly Selective Adsorption of Para-Xylene, Ethylbenzene, and Explicit Exclusion of Ortho-Xylene from Xylene Isomers Using a Pillar-Layered MOF with Tuned Pore Channels.". https://doi.org/10.1002/anie.202512244 →
  3. db:Europe PMC et al.. (2025). "Oil spill cleanup related exposures to benzene, toluene, ethylbenzene, xylenes, and n-hexane and incident diabetes mellitus.". https://doi.org/10.1016/j.envres.2025.121487 →
  4. db:Europe PMC et al.. (2025). "Chemobiological synthesis of benzene, toluene, ethylbenzene, and xylene from glucose or glycerol.". https://doi.org/10.1073/pnas.2509568122 →
  5. db:Europe PMC et al.. (2025). "Toxicological Response of the BEAS-2B Cell After Acute Exposure at the Air-Liquid Interface to Ethylbenzene and m-Xylene Alone and in Binary Mixtures.". https://doi.org/10.1002/jat.4806 →
  6. db:Europe PMC (2025). "Hypothesis-driven weight of evidence evaluation indicates ethylbenzene lacks endocrine disruption potential by EATS pathways.". https://doi.org/10.17179/excli2024-7822 →
  7. db:core Drexler, H, Schriever-Schwemmer, G, Hartwig, A et al.. (2023). "Ethylbenzene – Addendum: evaluation of a pregnancy risk group for the BAT value". German Medical Science. https://doi.org/10.34865/bb10041e8_1ad →
  8. db:openalex Hossein Kamani, Marzieh Baniasadi, Hossein Abdipour et al.. (2023). "Health risk assessment of BTEX compounds (benzene, toluene, ethylbenzene and xylene) in different indoor air using Monte Carlo simulation in zahedan city, Iran". Heliyon. https://doi.org/10.1016/j.heliyon.2023.e20294 →
  9. db:core Chemical Insights Research Institute (20410063). (2021). "Ethylbenzene — A Common Air Pollutant". https://doi.org/10.60752/102376.28036853.v1 →
  10. db:openalex Zhishan Luo, Qiang Wan, Zhiyang Yu et al.. (2021). "Photo-fluorination of nanodiamonds catalyzing oxidative dehydrogenation reaction of ethylbenzene". Nature Communications. https://doi.org/10.1038/s41467-021-26891-8 →
  11. db:openalex Lisa Sweeney, Janet E. Kester, Christopher R. Kirman et al.. (2015). "Risk assessments for chronic exposure of children and prospective parents to ethylbenzene (CAS No. 100-41-4)". Critical Reviews in Toxicology. https://doi.org/10.3109/10408444.2015.1046157 →
  12. db:core Michael L. Gargas (805100), Marcy I. Banton (805098), Janet E. Kester (805095) et al.. (2015). "Risk assessments for chronic exposure of children and prospective parents to ethylbenzene (CAS No. 100-41-4)". https://doi.org/10.6084/m9.figshare.1568198.v2 →
  13. db:openalex Mei Mei Peng, Ung Jin Jeon, Mani Ganesh et al.. (2014). "Oxidation of Ethylbenzene Using Nickel Oxide Supported Metal Organic Framework Catalyst". Bulletin of the Korean Chemical Society. https://doi.org/10.5012/bkcs.2014.35.11.3213 →
  14. db:openalex Won‐Jae Lee, Gilbert F. Froment. (2008). "Ethylbenzene Dehydrogenation into Styrene: Kinetic Modeling and Reactor Simulation". Industrial & Engineering Chemistry Research. https://doi.org/10.1021/ie071098u →
  15. db:openalex David Raju Burri. (2007). "Dehydrogenation of Ethylbenzene to Styrene with CO2over TiO2-ZrO2Bifunctional Catalyst". Bulletin of the Korean Chemical Society. https://doi.org/10.5012/bkcs.2007.28.1.053 →
  16. db:core Cadot, R., Bourges-Abella, Nathalie, Gallissot, Frédéric et al.. (2006). "Developmental toxicity of combined ethylbenzene and methylethylketone administered by inhalation to rats". Elsevier. https://doi.org/10.1016/j.fct.2006.02.006 →
  17. db:openalex Olaf Kniemeyer, Thomas Fischer, Heinz Wilkes et al.. (2003). "Anaerobic Degradation of Ethylbenzene by a New Type of Marine Sulfate-Reducing Bacterium". Applied and Environmental Microbiology. https://doi.org/10.1128/aem.69.2.760-768.2003 →
  18. db:openalex P J Chan. (1992). "NTP technical report on the toxicity studies of Ethylbenzene (Cas No. 100-41-4) in F344/N Rats and B6C3F1 Mice (Inhalation Studies).". PubMed.
  19. db:core (0). "ToxGuide for ethylbenzene : C8H10 : CAS# 100-41-4".
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
100-41-4
Formula molecolare
C8H10
Massa molare
106.16 g/mol
Nome IUPAC (EN)
ethylbenzene
SMILES
CCC1=CC=CC=C1
InChIKey
YNQLUTRBYVCPMQ-UHFFFAOYSA-N
📚 Related literature (20 articoli)

Matched automatically from public bibliographic databases by text similarity. Not curated for this substance, and not part of the safety data sheet.

Lisa Sweeney, Janet E. Kester, Christopher R. Kirman et al. · (2015) · Critical Reviews in Toxicology
Michael L. Gargas (805100), Marcy I. Banton (805098), Janet E. Kester (805095) et al. · (2015)
Drexler, H, Schriever-Schwemmer, G, Hartwig, A et al. · (2023) · German Medical Science
Chemical Insights Research Institute (20410063) · (2021)
Filtra:
Ordina:
📈 Cronologia delle pubblicazioni
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1999
2003
2006
2007
2008
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📡 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. wrzenia
136.2
Temp. topnienia
-94.2
Density
0.87

Source: PubChem, NIST WebBook. Last updated: 2026-09-04

🔍 Identificatori esterni
13 su 16 sistemi ID81%
DatabaseIdentificatoreAzioni
CAS Registry Number100-41-4Apri →
PubChem CID7500[1]Apri →
InChIKeyYNQLUTRBYVCPMQ-UHFFFAOYSA-N[1]Apri →
InChIInChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3[1]
SMILESCCC1=CC=CC=C1[1]
EC Number202-849-4[2]Apri →
ChEMBLCHEMBL371561[3]Apri →
KEGG CompoundC07111Apri →
HMDBHMDB0059905Apri →
ChemSpider7219[4]Apri →
UNII (FDA)L5I45M5G0OApri →
NSC Number (NCI)406903Apri →
WikiData QIDQ409184Apri →

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. ↗ si applica a: PubChem CID · InChIKey · InChI · SMILES
  2. ECHA. EC Inventory — EINECS, ELINCS, NLP and List Numbers assigned under REACH. Helsinki: European Chemicals Agency. ↗ si applica a: EC Number
  3. ChEMBL. European Bioinformatics Institute (EMBL-EBI), bioactivity database. ↗ si applica a: ChEMBL
  4. ChemSpider. Royal Society of Chemistry, chemical structure database. ↗ si applica a: ChemSpider

Ulteriori letture

Pubblicazioni tematicamente correlate a questo CAS. Non sono la fonte di alcun valore riportato in questa scheda.

Bibliografia (estesa) (2)

  1. ★★★★★ Curated literature 💰 Paywall (probable) ✓ verificato Qin Z; Zhou Y; Li Z et al.. 2024. "Production of Biobased Ethylbenzene by Cascade Biocatalysis with an Engineered Photodecarboxylase." Angewandte Chemie (International ed. in English). link [consultato: 2026-11-09]
  2. ★★☆☆☆ Crossref 🔓 OPEN ❓ non verificato Anonymous. "Ethylbenzene.". https://doi.org/10.31003/uspnf_r1375_01_01. link [consultato: 2026-09-04]
📡 Spettroscopia — CAS 100-41-4
📊 Spettri (NMR, IR, MS, UV-Vis) (1)

Tipi di spettri disponibili: IR

Spettro IR (KBr, 4000-400 cm⁻¹)

413 punti dati · Fonte: NIST WebBook · NIST ↗ · 📥 JCAMP-DX
🎓 Guida all'interpretazione degli spettri (per studenti)
Come leggere uno spettro IR
  • 3200-3600 cm⁻¹ — stiramento O-H (picco allargato = legame a idrogeno)
  • 2850-3000 cm⁻¹ — stiramento C-H (sp³)
  • 1650-1750 cm⁻¹ — stiramento C=O (chetoni, aldeidi, esteri)
  • 1400-1600 cm⁻¹ — vibrazioni dell'anello aromatico
  • 1000-1300 cm⁻¹ — stiramento C-O (eteri, alcoli)
  • Nessun assorbimento = gruppo funzionale assente → confrontare con un riferimento

Fonti: LibreTexts ↗, Silverstein (Spectrometric ID) ↗

📚 Riferimenti scientifici (Chicago Author-Date) (7 sources)
  1. National Institute of Standards and Technology. 2024. "NIST Chemistry WebBook, SRD 69." Gaithersburg, MD: NIST. Accessed 2025-01-01. ↗
  2. Spectral Database for Organic Structure Determination (SDBS). 2024. National Institute of Advanced Industrial Science and Technology (AIST), Japan. Accessed 2025-01-01. ↗
  3. Ulrich, Eldon L., Hideo Akutsu, John F. Doreleijers, Yoko Harano, Yannis E. Ioannidis, Jundong Lin, Miron Livny, et al. 2008. "BioMagResBank." Nucleic Acids Research 36 (D1): D402–D408. [DOI ↗]
  4. Horai, Hisayuki, Masanori Arita, Shigehiko Kanaya, Yoshito Nihei, Tasuku Ikeda, Kazuhiro Suwa, Yuya Ojima, et al. 2010. "MassBank: A Public Repository for Sharing Mass Spectral Data for Life Sciences." Journal of Mass Spectrometry 45 (7): 703–714. [DOI ↗]
  5. Linstrom, P.J., and W.G. Mallard, eds. 2024. NIST Chemistry WebBook, NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. ↗
  6. McDonald, M. Shane, Mike McAvoy, and Ajit Bhalerao. 1988. "JCAMP-DX: A Standard Form for Exchange of Infrared Spectra in Computer Readable Form." Applied Spectroscopy 42 (1): 151–162. [DOI ↗]
  7. PubChem. 2024. "PubChem Compound Database." National Library of Medicine, National Institutes of Health. Accessed 2025-01-01. ↗
Proprietà strutturali
ParametroValoreUnità
Formula molecolareC8H10
Massa molare106.16g/mol
Massa esatta106.078250319Da
Massa monoisotopica106.078250319Da
Superficie polare topologica (TPSA)0Ų
XLogP33.1000
Indice di complessità51.1
Donatori di legami a idrogeno0
Accettori di legami a idrogeno0
Legami rotabili1
Atomi pesanti8
Centri stereogenici (atomi)0
Centri stereogenici (legami)0
Volume 3D93ų
Numero di conformeri 3D1
RMSD del modello di conformero0.4000Å
Rotori 3D effettivi1
Accettori di legami a idrogeno (3D)0
Donatori di legami a idrogeno (3D)0
Anelli (3D)1
Centri idrofobici (3D)1
Quadrupolo sterico 3D (X/Y/Z)3.35 / 1.35 / 0.75Ų

Fonte: Proprietà calcolate PubChem, CID 7500

❓ Domande frequenti (8)
What is Ethylbenzene?
Ethylbenzene (CAS 100-41-4) is a chemical compound with the molecular formula C8H10 and a molecular weight of 106.16 g/mol. The chemical data comes from PubChem (National Institutes of Health, USA).
Utile?
What is the CAS number of Ethylbenzene?
The CAS number for Ethylbenzene is 100-41-4. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.
Utile?
What is the chemical formula of Ethylbenzene?
The molecular formula of Ethylbenzene is C8H10. Its molecular weight is 106.16 g/mol.
Utile?
What is the melting point of Ethylbenzene?
The melting point of Ethylbenzene is -94.2.
Utile?
What is the boiling point of Ethylbenzene?
The boiling point of Ethylbenzene is 136.2.
Utile?
What is the density of Ethylbenzene?
The density of Ethylbenzene is 0.87.
Utile?
Is Ethylbenzene hazardous?
Ethylbenzene has a harmonised EU classification (CLP Regulation, Annex VI, index no. 601-023-00-4): H225, H332, H304, H373. Read the safety data sheet before use and follow the handling precautions it states.
Utile?
How should Ethylbenzene be stored?
Ethylbenzene 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: 7500

🔄 Convertitore di unità di concentrazione LIVE

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

MW: 106.16 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.811e2008
    → 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

Caricamento di strutture simili...

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

Calcoli secondo: IUPAC Gold Book ↗, Merck ↗

Chimica computazionale

Descrittori molecolari

ParametroValoreUnità
XLogP3 (lipofilia)3.10
lipofilo (preferisce la fase organica)
Superficie polare topologica (TPSA)0.00Ų
bassa polarità, buona penetrazione della barriera emato-encefalica
Indice di complessità51.1
Carica formale0
molecola neutra

Regola di Lipinski (Rule of Five)

CriterioValoreRegolaStato
Massa molare106.16 g/mol<= 500✓
XLogP33.10<= 5✓
Donatori di legami a idrogeno0<= 5✓
Accettori di legami a idrogeno0<= 10✓

Il composto soddisfa la regola di Lipinski — biodisponibilità orale potenzialmente buona.

Caratteristiche farmacoforiche 3D

ParametroValoreUnità
Accettori di legami a idrogeno (3D)0
Donatori di legami a idrogeno (3D)0
Anelli (3D)1
Centri idrofobici (3D)1
Centri anionici (3D)0
Centri cationici (3D)0

Forma e volume

ParametroValoreUnità
Volume 3D93.00ų
Legami rotabili1
Atomi pesanti8

Le interpretazioni della TPSA e la regola di Lipinski sono regole empiriche per farmaci orali a basso peso molecolare (Lipinski 1997, Veber 2002, Kelder 1999). Non costituiscono una valutazione dell'assorbimento né della tossicità di questa sostanza — i dati di sicurezza sono riportati nella scheda di dati di sicurezza.

Fonte: Proprietà calcolate PubChem, CID 7500

🛡️ Sicurezza — CAS 100-41-4
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).

⚠️ Pericolo (Danger)
GHS02 — Infiammabile
GHS02 Infiammabile
GHS07 — Irritante / nocivo
GHS07 Irritante / nocivo
GHS08 — Pericolo per la salute
GHS08 Pericolo per la salute

🚨 Indicazioni di pericolo (H)

  • H225 — Liquido e vapori facilmente infiammabili.
  • H332 — Nocivo se inalato.
  • H304 — Può essere letale in caso di ingestione e di penetrazione nelle vie respiratorie.
  • H373 — Può provocare danni agli organi in caso di esposizione prolungata o ripetuta.

🛡 Consigli di prudenza (P)

  • P210 — Tenere lontano da fonti di calore, superfici calde, scintille, fiamme libere o altre fonti di accensione. Non fumare.
  • P233 — Tenere il recipiente ben chiuso.
  • P240 — Mettere a terra e a massa il contenitore e il dispositivo ricevente.
  • P260 — Non respirare la polvere/i fumi/i gas/la nebbia/i vapori/gli aerosol.
  • P271 — Utilizzare soltanto all’aperto o in luogo ben ventilato.
  • P280 — Indossare guanti/indumenti protettivi/Proteggere gli occhi/il viso.
  • P301+P310 — IN CASO DI INGESTIONE: Contattare immediatamente un CENTRO ANTIVELENI/un medico/…
  • P303+P361+P353 — IN CASO DI CONTATTO CON LA PELLE (o con i capelli): Togliere immediatamente tutti gli indumenti contaminati.; Sciacquare la pelle [o fare una doccia].
  • P304+P340 — IN CASO DI INALAZIONE: Trasportare l’infortunato all’aria aperta e mantenerlo a riposo in posizione che favorisca la respirazione.
  • P312 — In caso di malessere, contattare un CENTRO ANTIVELENI/un medico/…
  • P314 — In caso di malessere, consultare un medico.
  • P331 — NON provocare il vomito.
  • P370+P378 — In caso di incendio: Utilizzare … per estinguere.
  • P403+P235 — Conservare in luogo ben ventilato.: Conservare in luogo fresco.
  • P501 — Smaltire il prodotto/recipiente in …

✓ Classificazione armonizzata ai sensi dell'allegato VI del regolamento CLP (CE) 1272/2008 (classificazione ufficiale, vincolante). Numero indice: 601-023-00-4.

Riferimento (Chicago): European Chemicals Agency. "ethylbenzene, Index No. 601-023-00-4." In Table 3 of Annex VI to Regulation (EC) No 1272/2008 (CLP Regulation), 23rd Adaptation to Technical Progress (harmonised list as of 2026-07-07). Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

⚠ IARC — Gruppo 2B: possibilmente cancerogeno per l'uomo. (Valutazione indipendente delle evidenze di cancerogenicità da parte di IARC/WHO — integra la classificazione CLP soprastante.)
Riferimento (Chicago): IARC. n.d. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 100-41-4. Lyon, France: International Agency for Research on Cancer, World Health Organization. https://monographs.iarc.who.int/list-of-classifications/.
Classificazione dall'elenco locale MOL-GOD (snapshot) — non verificata rispetto all'elenco IARC corrente. Verifica

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: 100-41-4 · 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)
Stato farmacologico

Prekliniczny

Phase I
Phase II
Phase III
Approvato

Preclinico — nessun dato da studi sull'uomo.

ChEMBL CHEMBL371561 ↗

🚚 Classificazione di trasporto (ADR / IATA / IMDG)

UN 1175 — verificare la classe di trasporto nell’ADR 2025 (tabella A). La sezione 14 della scheda riporta un numero ONU, ma senza una classe ADR confermata.

Source: Karta SDS sek.14 (UN bez potwierdzonej klasy)

Fonti: ADR 2025 ↗ · IATA DGR ↗ · IMDG Code ↗

📅 Project Planner — Gestore degli esperimenti di laboratorio NOVITÀ

Pianifica l'intero progetto di laboratorio: aggiungi esperimenti con reagenti, repliche e durata. Otterrai un diagramma di Gantt, una lista degli acquisti (con link al negozio!), un budget con un margine del 10% e una matrice dei rischi GHS.

🧪 Solubilità e compatibilità con i solventi
Molecola
Ethylbenzene
Formula
C8H10
logP (XLogP3)
3.10
Massa (g/mol)
106.16
Polarità
Idrofoba (apolare)

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

Ra < R₀ = buona miscibilità · Ra < 1,5×R₀ = al limite · oltre = scarsa (R₀ — raggio della sfera di Hansen di questa molecola) Per questa molecola R₀ = 8..

Solvente Compat. Ra Visuale GC-MS HPLC Applications Riferimenti
Water (H₂O)0.169 g/L (misurato)—
✗ NoA (aqueous) (RP)
buffercell cultureanalyticalextraction (hydrophilic)
Ethanol (EtOH)——nessuna base✗ NoA/B modifier (RP/NP)
extractionspectroscopy (UV-Vis)synthesisHPLC modifier
Methanol (MeOH)——nessuna base✗ NoA/B (RP) (RP)
HPLC (eluent)LC-MSKarl FischerUV-transparent to 205 nm
Acetone——nessuna base✗ NoB modifier (NP)
GC headspacecrystallisationdegreasingsynthesis
Acetonitrile (ACN)——nessuna base✗ NoB (RP) (RP)
HPLC eluent (gold standard)LC-MS (low UV cut-off, 190 nm)peptide analysis
DMSO——nessuna base✗ NoN/A (N/A)
NMR (d6-DMSO)cell biology (cryopreservation)drug deliverysynthesis
THF——nessuna base✗ NoB (NP) (NP)
GPC/SEC (polymer analysis)Grignard synthesisorganometallics
DCM (CH₂Cl₂)——nessuna base✓ YesB (NP) (NP)
extractionNP-HPLCGC-MScrystallisation (anti-solvent)
Chloroform (CHCl₃)——nessuna base✓ YesN/A (toxic) (N/A)
NMR (CDCl3)lipid extraction (Folch method)NP-TLC
Hexane——nessuna base✓ YesA (NP) (NP)
NP-HPLCoil extraction (lipids)GC-MSTLC (NP)
Toluene——nessuna base✓ YesB (NP) (NP)
NMR (d8-toluene)synthesisazeotropic drying (Dean-Stark)
📚 Riferimenti scientifici per i solventi (Chicago Author-Date) — clicca per espandere

11 solventi · 54 citazioni complete (NIST/CRC/IARC/Hansen/Reichardt/Smallwood/Wypych/Armarego/Snyder/GESTIS) — di seguito.

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 periferica (l'n-esano NON è un cancerogeno secondo la 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, solvatochromism.
  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 for dD/dP/dH from 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 100-41-4 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 3 0
Salute: 2/4
Infiammabilità: 3/4
Reattività: 0/4
Secondo NFPA 704 / calcolato dai codici H

Verifica se Ethylbenzene 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
Temperatura 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)
Ethylbenzene• Phenylethane / Ethylbenzol• IUPAC: ethylbenzene• CAS: 100-41-4• EC: 202-849-4• Formula: C8H10• Massa: 106.16 g/molPERICOLOINDICAZIONI DI PERICOLO GHS:H225 H332 H304 H373P301+P310 P303+P361+P353 P304+P340 P370+P378 P312 P314 P331 P280P501 P403+P235 P210 P233 P240 P260 P271Solo per uso di laboratorio!Nonsensia Ltd124-128 City Road, EC1V 2NX Londonpure@molgod.orgmolgod.orgN. lotto: Massa netta:
🧪 Assistente di preparazione della soluzione (Smart Prep)

Inserisci cosa vuoi preparare — genererò una SOP

Esempi qui sotto — clicca per inserire:
Ricette predefinite:
📚 Panoramica della letteratura scientifica — CAS 100-41-4
⭐ Risultati principali (letteratura scientifica) 20 publications
🏆 CAS 100-41-4 — multi-criteria ranking (W12): 30% citazioni · 20% recency · 20% topic · 15% historical · 15% open access.
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    SCORE 8.75 Meccanismo Citazioni: 1 Open Access DOI ↗ PubMed ↗
  7. #7
    et al. (2025)
    Perché è importante: Recente (2025) · open access
    SCORE 8.06 Meccanismo Citazioni: 3 Open Access DOI ↗ PubMed ↗
  8. #8
    Won‐Jae Lee, Gilbert F. Froment (2008) · Industrial & Engineering Chemistry Research
    Perché è importante: Open access
    SCORE 7.69 Meccanismo Citazioni: 64 Open Access DOI ↗
  9. #9
    Lisa Sweeney, Janet E. Kester, Christopher R. Kirman et al. (2015) · Critical Reviews in Toxicology
    Perché è importante: Open access
    SCORE 7.52 Meccanismo Citazioni: 17 Open Access DOI ↗
  10. #10
    et al. (2025)
    Perché è importante: Recente (2025) · open access
    SCORE 7.15 Farmacologia Citazioni: 1 Open Access DOI ↗ PubMed ↗
  11. #11
    (2025)
    Perché è importante: Recente (2025) · open access
    SCORE 7.15 Meccanismo Citazioni: 1 Open Access DOI ↗ PubMed ↗
  12. #12
    et al. (2026)
    Perché è importante: Recente (2026) · open access
    SCORE 7.15 Meccanismo Citazioni: 1 Open Access DOI ↗ PubMed ↗
  13. #13
    David Raju Burri (2007) · Bulletin of the Korean Chemical Society
    Perché è importante: Open access
    SCORE 6.88 Meccanismo Citazioni: 34 Open Access DOI ↗
  14. #14
    Drexler, H, Schriever-Schwemmer, G, Hartwig, A et al. (2023) · German Medical Science
    Perché è importante: Recente (2023) · open access
    SCORE 6.15 Meccanismo Open Access DOI ↗
  15. #15
    Cadot, R., Bourges-Abella, Nathalie, Gallissot, Frédéric et al. (2006) · Elsevier
    Perché è importante: Open access
    SCORE 5.78 Farmacologia Citazioni: 14 Open Access DOI ↗
  16. #16
    Qin Z; Zhou Y; Li Z et al. (2024) · Angewandte Chemie (International ed. in English)
    Perché è importante: Must-cite (canone) · recente (2024)
    SCORE 4.8 Industria MUST-CITE DOI ↗
  17. #17
    NTP Toxicology and Carcinogenesis Studies of Ethylbenzene (CAS No. 100-41-4) in F344/N Rats and B6C3F1 Mice (Inhalation Studies).
    (1999) · PubMed
    Perché è importante: Selezionate tramite punteggio multi-criterio (citations + recency + topic + historical + OA).
    SCORE 3.61 Meccanismo Citazioni: 15
  18. #18
    Chemical Insights Research Institute (20410063) (2021)
    Perché è importante: Selezionate tramite punteggio multi-criterio (citations + recency + topic + historical + OA).
    SCORE 3.3 Meccanismo DOI ↗
  19. #19
    NTP technical report on the toxicity studies of Ethylbenzene (Cas No. 100-41-4) in F344/N Rats and B6C3F1 Mice (Inhalation Studies).
    P J Chan (1992) · PubMed
    Perché è importante: Selezionate tramite punteggio multi-criterio (citations + recency + topic + historical + OA).
    SCORE 3.12 Farmacologia Citazioni: 10
  20. #20
    Michael L. Gargas (805100), Marcy I. Banton (805098), Janet E. Kester (805095) et al. (2015)
    Perché è importante: Selezionate tramite punteggio multi-criterio (citations + recency + topic + historical + OA).
    SCORE 1.5 Meccanismo DOI ↗

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📚 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
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📚 Riferimenti (Chicago Author-Date) — fare clic per espandere
  1. et al.. (2026). "Associations between ambient exposure to styrene, benzene, toluene, ethylbenzene, and xylenes and hospitalizations in the US Gulf region.". https://doi.org/10.1016/j.envres.2026.124217
  2. et al.. (2025). "Highly Selective Adsorption of Para-Xylene, Ethylbenzene, and Explicit Exclusion of Ortho-Xylene from Xylene Isomers Using a Pillar-Layered MOF with Tuned Pore Channels.". https://doi.org/10.1002/anie.202512244
  3. et al.. (2025). "Oil spill cleanup related exposures to benzene, toluene, ethylbenzene, xylenes, and n-hexane and incident diabetes mellitus.". https://doi.org/10.1016/j.envres.2025.121487
  4. et al.. (2025). "Chemobiological synthesis of benzene, toluene, ethylbenzene, and xylene from glucose or glycerol.". https://doi.org/10.1073/pnas.2509568122
  5. et al.. (2025). "Toxicological Response of the BEAS-2B Cell After Acute Exposure at the Air-Liquid Interface to Ethylbenzene and m-Xylene Alone and in Binary Mixtures.". https://doi.org/10.1002/jat.4806
  6. (2025). "Hypothesis-driven weight of evidence evaluation indicates ethylbenzene lacks endocrine disruption potential by EATS pathways.". https://doi.org/10.17179/excli2024-7822
  7. Drexler, H, Schriever-Schwemmer, G, Hartwig, A et al.. (2023). "Ethylbenzene – Addendum: evaluation of a pregnancy risk group for the BAT value". German Medical Science. https://doi.org/10.34865/bb10041e8_1ad
  8. Hossein Kamani, Marzieh Baniasadi, Hossein Abdipour et al.. (2023). "Health risk assessment of BTEX compounds (benzene, toluene, ethylbenzene and xylene) in different indoor air using Monte Carlo simulation in zahedan city, Iran". Heliyon. https://doi.org/10.1016/j.heliyon.2023.e20294
  9. Chemical Insights Research Institute (20410063). (2021). "Ethylbenzene — A Common Air Pollutant". https://doi.org/10.60752/102376.28036853.v1
  10. Zhishan Luo, Qiang Wan, Zhiyang Yu et al.. (2021). "Photo-fluorination of nanodiamonds catalyzing oxidative dehydrogenation reaction of ethylbenzene". Nature Communications. https://doi.org/10.1038/s41467-021-26891-8
  11. Lisa Sweeney, Janet E. Kester, Christopher R. Kirman et al.. (2015). "Risk assessments for chronic exposure of children and prospective parents to ethylbenzene (CAS No. 100-41-4)". Critical Reviews in Toxicology. https://doi.org/10.3109/10408444.2015.1046157
  12. Michael L. Gargas (805100), Marcy I. Banton (805098), Janet E. Kester (805095) et al.. (2015). "Risk assessments for chronic exposure of children and prospective parents to ethylbenzene (CAS No. 100-41-4)". https://doi.org/10.6084/m9.figshare.1568198.v2
  13. Mei Mei Peng, Ung Jin Jeon, Mani Ganesh et al.. (2014). "Oxidation of Ethylbenzene Using Nickel Oxide Supported Metal Organic Framework Catalyst". Bulletin of the Korean Chemical Society. https://doi.org/10.5012/bkcs.2014.35.11.3213
  14. Won‐Jae Lee, Gilbert F. Froment. (2008). "Ethylbenzene Dehydrogenation into Styrene: Kinetic Modeling and Reactor Simulation". Industrial & Engineering Chemistry Research. https://doi.org/10.1021/ie071098u
  15. David Raju Burri. (2007). "Dehydrogenation of Ethylbenzene to Styrene with CO2over TiO2-ZrO2Bifunctional Catalyst". Bulletin of the Korean Chemical Society. https://doi.org/10.5012/bkcs.2007.28.1.053
  16. Cadot, R., Bourges-Abella, Nathalie, Gallissot, Frédéric et al.. (2006). "Developmental toxicity of combined ethylbenzene and methylethylketone administered by inhalation to rats". Elsevier. https://doi.org/10.1016/j.fct.2006.02.006
  17. Olaf Kniemeyer, Thomas Fischer, Heinz Wilkes et al.. (2003). "Anaerobic Degradation of Ethylbenzene by a New Type of Marine Sulfate-Reducing Bacterium". Applied and Environmental Microbiology. https://doi.org/10.1128/aem.69.2.760-768.2003
  18. P J Chan. (1992). "NTP technical report on the toxicity studies of Ethylbenzene (Cas No. 100-41-4) in F344/N Rats and B6C3F1 Mice (Inhalation Studies).". PubMed.
  19. (0). "ToxGuide for ethylbenzene : C8H10 : CAS# 100-41-4".
  20. World Intellectual Property Organization. 2024. "Patent Cooperation Treaty (PCT)." https://www.wipo.int/pct/.
  21. U.S. Patent and Trademark Office. 2024. "USPTO Patent Public Search." https://ppubs.uspto.gov/.
  22. European Patent Office. 2024. "Espacenet Patent Search." https://worldwide.espacenet.com/.
  23. 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.
  24. 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.
  25. 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.
  26. Meanwell, Nicholas A. 2011. "Synopsis of Some Recent Tactical Application of Bioisosteres in Drug Design." Journal of Medicinal Chemistry 54 (8): 2529-2591.
  27. 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.
  28. Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
  29. Allison, John R., and Mark A. Lemley. 1998. "Empirical Evidence on the Validity of Litigated Patents." AIPLA Quarterly Journal 26 (3): 185-275.
  30. Patani, George A., and Edmond J. LaVoie. 1996. "Bioisosterism: A Rational Approach in Drug Design." Chemical Reviews 96 (8): 3147-3176.
  31. 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) 79 elementi

Tutte le fonti scientifiche citate negli accordion sopra per il CAS 100-41-4.Formato: Chicago Manual of Style 17ª ed., sistema Author-Date.

🗄️ Banche dati scientifiche

  1. NIST. n.d. NIST Chemistry WebBook: CAS 100-41-4. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=100-41-4.
  2. AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 100-41-4. 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 100-41-4. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=100-41-4.

📐 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://openlibrary.org/isbn/9780471879558.
  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.

📘 Monografie

  1. IARC. n.d. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 100-41-4. Lyon, France: International Agency for Research on Cancer, World Health Organization. https://monographs.iarc.who.int/list-of-classifications/.

📄 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. ECHA — Allegato VI del CLP (classificazione armonizzata, ATP 23; 2026-07-07) https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.
  10. 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/.
  11. 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.
  12. 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.
  13. 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.
  14. 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.
  15. Kolthoff, Izaak Maurits, and Philip J. Elving, eds. 1978. Treatise on Analytical Chemistry, Part I: Theory and Practice. 2nd ed. New York: Wiley-Interscience.
  16. Skoog, Douglas A., F. James Holler, and Stanley R. Crouch. 2018. Principles of Instrumental Analysis. 7th ed. Boston: Cengage Learning.
  17. Christian, Gary D., Purnendu K. Dasgupta, and Kevin A. Schug. 2014. Analytical Chemistry. 7th ed. Hoboken, NJ: Wiley.
  18. 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.
  19. 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.
  20. 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/.
  21. Grubbs, Frank E. 1950. "Sample Criteria for Testing Outlying Observations." Annals of Mathematical Statistics 21 (1): 27–58.
  22. Dixon, Wilfrid J. 1950. "Analysis of Extreme Values." Annals of Mathematical Statistics 21 (4): 488–506.
  23. Snedecor, George W., and William G. Cochran. 1989. Statistical Methods. 8th ed. Ames, IA: Iowa State University Press.
  24. Student [William Sealy Gosset]. 1908. "The Probable Error of a Mean." Biometrika 6 (1): 1–25.
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📥 Scarica BibTeX📥 Scarica RISImportazione in Zotero/Mendeley/EndNote/Papers.
📜 Licenza e provenienza
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Modello
Ethylbenzene · 100-41-4
InChIKey
YNQLUTRBYVCPMQ-UHFFFAOYSA-N
Licenza
CC BY-SA 4.0 International
Attribuzione
MolGod Scientific — Ethylbenzene (CAS 100-41-4)
Scheda di licenza e provenienza
Ethylbenzene (CAS 100-41-4) →
Scheda molecolare MolGod
Ethylbenzene →
Dati di origine
PubChem CID 7500 ↗
Informazioni sul modello
STL generato da MolGod · MolGod STL Exporter build 48804cd20b0d · generato il 2026-10-14
SHA-256 (STL)
d41f086b281cbfda992e13ce7e73d9a955cab1fae2dc7b7f58d4700153401fa7
MD5 (STL)
7ff872ee113c499d5be8bd3cabb97e86
MolGod Identification Number
MG_553-016-871-43
Trasformazione
Mesh a sfere e bastoncini MolGod Scientific
Modifiche
Convertito in una mesh molecolare triangolata; coordinate atomiche e connettività invariate.
Wikimedia Commons
STL · PNG
Modello di molecola gratuito da stampare
Scarica il modello, stampalo e usalo nella didattica. Quando pubblichi una foto, un materiale o un adattamento, la licenza CC BY-SA 4.0 International richiede di indicare “MolGod Scientific” come autore del modello, inserire un link all’originale e al testo della licenza, segnalare le modifiche apportate e condividere gli adattamenti con la stessa licenza. Un testo di attribuzione pronto all’uso si trova in questa sezione. Nessuna registrazione, nessun costo e nessun obbligo di recensione.

Questa licenza si applica alla mesh STL creata da MolGod, non automaticamente al materiale di origine di terzi.