Ethyl acetate (CAS 141-78-6)

China Ethyl Acetate Supplier, Manufacturer – Factory Direct Price. CAS 141-78-6.

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REACH 2020/878
v4 · 21.10.2026

Section 9 — physicochemical properties: 16 of 22 established.

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3D model Ethyl Acetate, CAS 141-78-6, molecular formula C4H8O2, molar mass 88.11 g/mol

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📊 Physicochemical data — CAS 141-78-6
📊 Physicochemical properties

Quick Reference

Formula: C4H8O2
MW: 88.11 g/mol
CAS: 141-78-6
Appearance: Clear, volatile
Odour: Characteristic ether-like odor reminiscent of pineapple.

Detailed Properties

Supplements the “Physical & Chemical Properties (DB)” table below — values already shown there are not repeated.

Property Value Unit Conditions Source
Refractive Index (nD) 1.3724[1] 20 °C, D-line Reid, Prausnitz, Poling 4th ed. (1987)
🔬 Advanced Properties

Chemical Identifiers

SMILES: CCOC(=O)C

Data sources: Reid, Prausnitz, Poling 4th ed. (1987) (ISBN 9780070517998)

Last updated: 2026-09-02

📚 Scientific references (Chicago Author-Date) (1 sources)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ applies to: Refractive Index (nD)
Chemical Overview: Ethyl Acetate
Molecular formulaC4H8O2[1]
Molecular weight88.11 g/mol[1]
Melting point-83.6 °C[1][2][3]
Boiling point77.1 °C (760 mmHg)[1][2][3]
Density0.9003 g/cm³[1][2]
LogP (lipophilicity)0.73[1]
IUPAC nameethyl acetate[1]
SMILESCCOC(=O)C[1]
InChIKeyXEKOWRVHYACXOJ-UHFFFAOYSA-N[1]

Synonyms: ETHYL ACETATE · 141-78-6 · Ethyl ethanoate · Acetic acid ethyl ester · Vinegar naphtha

Data sources: PubChem (NLM/NIH), Reid, Prausnitz, Poling 4th ed. (1987)
Last updated: 2026-09-25

📚 Scientific references (Chicago Author-Date) (3 sources)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ applies to: Molecular formula · Molecular weight · Melting point · Boiling point · Density · LogP (lipophilicity) · IUPAC name · SMILES · InChIKey
  2. DECHEMA, PTB, and BAM. CHEMSAFE - Database of Evaluated Safety Characteristics for the Avoidance of Explosions. Frankfurt am Main: DECHEMA e.V.; Braunschweig/Berlin: Physikalisch-Technische Bundesanstalt and Bundesanstalt fur Materialforschung und -prufung. ↗ applies to: Melting point · Boiling point · Density
  3. NIST. Chemistry WebBook, SRD 69. National Institute of Standards and Technology. ↗ applies to: Melting point · Boiling point

SCIENTIFIC RESEARCH

[1]PubMed2026
Zhu W, Chen R, Wu L et al.. (2026). "Ethyl acetate fraction from Dendrobium officinale inhibits IL-17A signaling pathway to mitigate acute lung injury.". Journal of ethnopharmacology. https://doi.org/
[2]PubMed2026
Zeng J, Tang Y, Zhao A et al.. (2026). "Ethyl acetate fraction of Chaidangbo prescription (EAFC) improves hippocampal neural plasticity in CUMS mice: involving glucocorticoid receptors and Akt-related
[3]Europe PMC2026
et al.. (2026). "The Role of Ethyl Acetate Fraction from Phyllanthus amarus in Down-Regulation of Allergic Inflammatory Responses.". https://doi.org/10.3390/molecules31111806
[4]Europe PMC2026
et al.. (2026). "Ethyl acetate extract from Platycladus orientalis leaves ameliorates diabetic cardiomyopathy via alleviating oxidative stress and suppressing myocardial fibrosis.". https://doi.org/10
[5]Europe PMC2026
(2026). "2-(Propyloxy)ethyl acetate: MAK Value Documentation, addendum - Translation of the German version from 2024.". https://doi.org/10.34865/mb280730e11_1ad
[6]Europe PMC2026
(2026). "A Safe Natural Alternative to Phenylthiourea: Ethyl Acetate Extract of Alchemilla vulgaris for Zebrafish Embryo Depigmentation.". https://doi.org/10.3390/ph19050714
[7]Europe PMC2026
et al.. (2026). "Experimental and Modeling Assessment of Polyphenol Solubility in Alcohol + Ethyl Acetate Mixtures for Extraction Applications.". https://doi.org/10.1021/acsomega.5c10953
[8]Europe PMC2026
et al.. (2026). "A non-conventional biodiesel process route from waste palm fatty acid distillate and ethyl acetate via esterification.". https://doi.org/10.1038/s41598-026-41785-9
📚 Scientific references (Chicago Author-Date) 28 refs · 4 baz

MOLECULE Per-CAS bibliography (live from 13+ databases)

Sources: db:pubmed (13) · db:Europe PMC (14) · db:doaj (1) · db:crossref (1)

  1. db:pubmed Zhu W, Chen R, Wu L et al.. (2026). "Ethyl acetate fraction from Dendrobium officinale inhibits IL-17A signaling pathway to mitigate acute lung injury.". Journal of ethnopharmacology. https://doi.org/10.1016/j.jep.2026.121176 →
  2. db:pubmed Zeng J, Tang Y, Zhao A et al.. (2026). "Ethyl acetate fraction of Chaidangbo prescription (EAFC) improves hippocampal neural plasticity in CUMS mice: involving glucocorticoid receptors and Akt-related signaling pathway.". Phytomedicine : international journal of phytotherapy and phytopharmacology. https://doi.org/10.1016/j.phymed.2026.158411 →
  3. db:Europe PMC et al.. (2026). "The Role of Ethyl Acetate Fraction from Phyllanthus amarus in Down-Regulation of Allergic Inflammatory Responses.". https://doi.org/10.3390/molecules31111806 →
  4. db:Europe PMC et al.. (2026). "Ethyl acetate extract from Platycladus orientalis leaves ameliorates diabetic cardiomyopathy via alleviating oxidative stress and suppressing myocardial fibrosis.". https://doi.org/10.3389/fphar.2026.1771512 →
  5. db:Europe PMC (2026). "2-(Propyloxy)ethyl acetate: MAK Value Documentation, addendum - Translation of the German version from 2024.". https://doi.org/10.34865/mb280730e11_1ad →
  6. db:Europe PMC (2026). "A Safe Natural Alternative to Phenylthiourea: Ethyl Acetate Extract of Alchemilla vulgaris for Zebrafish Embryo Depigmentation.". https://doi.org/10.3390/ph19050714 →
  7. db:Europe PMC et al.. (2026). "Experimental and Modeling Assessment of Polyphenol Solubility in Alcohol + Ethyl Acetate Mixtures for Extraction Applications.". https://doi.org/10.1021/acsomega.5c10953 →
  8. db:Europe PMC et al.. (2026). "A non-conventional biodiesel process route from waste palm fatty acid distillate and ethyl acetate via esterification.". https://doi.org/10.1038/s41598-026-41785-9 →
  9. db:Europe PMC et al.. (2026). "In Vitro and In Silico Investigations of Antifungal Activity of Ethyl Acetate Extracts of Various Species of Swertia Against Aspergillus fumigatus.". https://doi.org/10.1002/cbdv.71468 →
  10. db:Europe PMC et al.. (2026). "Antibacterial and toxicological evaluation of (E)-2-((3,7-dimethylocta-2,6-dien-1-yl)oxy)ethyl acetate.". https://doi.org/10.1590/1519-6984.302367 →
  11. db:Europe PMC et al.. (2026). "Fluorination Site and Degree Regulate the Decomposition of Fluorinated Ethyl Acetate Solvents on Lithium Metal: A First-Principles Molecular Dynamics Study.". https://doi.org/10.3390/nano16130810 →
  12. db:Europe PMC et al.. (2026). "Ethyl acetate extract of Elephantopus mollis Kunth. induced apoptosis, senescence, and inhibited metastasis-associated traits of human lung cancer cells.". https://doi.org/10.4103/rps.rps_115_25 →
  13. db:pubmed Yu Q, Shao P, Liu X et al.. (2025). "Ethyl acetate extract of Sargentodoxa cuneata and Patrinia villosa alleviates pelvic inflammation by shifting macrophages polarization.". Phytomedicine : international journal of phytotherapy and phytopharmacology. https://doi.org/10.1016/j.phymed.2025.157345 →
  14. db:pubmed Liu Y, Yu T, Liu M et al.. (2025). "Artemisia argyi ethyl acetate fraction suppresses ovarian cancer progression via JUN/MAPK10 signaling: An integrated multi-omics investigation.". Phytomedicine : international journal of phytotherapy and phytopharmacology. https://doi.org/10.1016/j.phymed.2025.157533 →
  15. db:pubmed Zhao M, Zeng L, Zhou Y et al.. (2025). "Ethyl Acetate Fraction of Zanthoxylum bungeanum Ameliorates Cognitive Deficit by Facilitating the PHGDH-Dependent Astrocyte-Neuron Serine Shuttle in Aging Mice.". Journal of agricultural and food chemistry. https://doi.org/10.1021/acs.jafc.4c12077 →
  16. db:pubmed Liu MJ, Xu ZP, Guan YQ et al.. (2025). "Ethyl acetate fraction of Thesium chinense Turcz. alleviates chronic obstructive pulmonary disease through inhibition of ferroptosis mediated by activating Nrf2/SLC7A11/GPX4 axis.". Journal of ethnopharmacology. https://doi.org/10.1016/j.jep.2024.118776 →
  17. db:pubmed Suryaningtyas IT, Jung WK, Lee SJ et al.. (2025). "Salicornia europaea L. Ethyl Acetate Fraction Induces Adipocyte Browning and Exhibits Anti-Obesity Effect in 3T3-L1 Preadipocytes.". Chemistry & biodiversity. https://doi.org/10.1002/cbdv.202501190 →
  18. db:Europe PMC et al.. (2025). "Direct Conversion of Ethanol to Ethyl Acetate by Dynamic Polyoxometalate/Carbon Nanohorn Electrocatalytic Interfaces.". https://doi.org/10.1021/jacs.5c10817 →
  19. db:Europe PMC et al.. (2025). "Toxicity Profile of Plectranthus glandulosus Hook. F. (Lamiaceae) Aqueous Extract, Hydro-Ethanolic Extract, and Ethyl Acetate Fraction.". https://doi.org/10.1155/bri/7453400 →
  20. db:Europe PMC et al.. (2025). "Exploring a Water-Ethyl Acetate System for the Efficient Synthesis of 4-Aryl Quinolines.". https://doi.org/10.1002/open.202400470 →
  21. db:Europe PMC et al.. (2025). "Mycochemistry, antioxidant activity and anticancer potentiality of ethyl acetate extract of Daldinia eschscholtzii against A549 lung cancer cell line.". https://doi.org/10.1038/s41598-025-22756-y →
  22. db:pubmed Zhang S, Hou B, Xu A et al.. (2024). "Ganlu formula ethyl acetate extract (GLEE) blocked the development of experimental arthritis by inhibiting NLRP3 activation and reducing M1 type macrophage polarization.". Journal of ethnopharmacology. https://doi.org/10.1016/j.jep.2024.118377 →
  23. db:pubmed Williams ES, Ryder VE. (2023). "Spaceflight Maximum Allowable Concentrations for Ethyl Acetate.". Aerospace medicine and human performance. https://doi.org/10.3357/AMHP.6057.2023 →
  24. db:pubmed Api AM, Belsito D, Botelho D et al.. (2022). "RIFM fragrance ingredient safety assessment, ethyl acetate, CAS Registry Number 141-78-6.". Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. https://doi.org/10.1016/j.fct.2022.113363 →
  25. db:doaj Anandhabhairavi N, Shanthi M, Chinniah C et al.. (2021). "Evaluation of Ethyl Acetate Extract of Some Botanicals against Rice Weevil Sitophilus oryzae L. (Coleoptera: Curculionidae) in Stored Maize". Madras Agricultural Journal. https://doi.org/http://doi.org/10.29321/MAJ.10.000500 →
  26. db:pubmed Zhang S, Guo F, Yan W et al.. (2020). "Perspectives for the microbial production of ethyl acetate.". Applied microbiology and biotechnology. https://doi.org/10.1007/s00253-020-10756-z →
  27. db:crossref Chao Cheng, Yang Cong, Cunbin Du et al.. (2016). "Solubility determination and thermodynamic models for dehydroepiandrosterone acetate in mixed solvents of (ethyl acetate + methanol), (ethyl acetate + ethanol) and (ethyl acetate + isopropanol)". The Journal of Chemical Thermodynamics. https://doi.org/10.1016/j.jct.2016.06.014 →
  28. db:pubmed Löser C, Urit T, Bley T. (2014). "Perspectives for the biotechnological production of ethyl acetate by yeasts.". Applied microbiology and biotechnology. https://doi.org/10.1007/s00253-014-5765-9 →
Regulatory status of the substance
This substance is subject to regulatory requirements: hazardous waste management (BDO — national rule, Poland); transport of dangerous goods (ADR/RID/IMDG). Details in the "Regulatory Status (REACH/ECHA/CLP)" section and on the SDS. Regulatory information — does not restrict purchase in this store.
🧮 Stoichiometry Calculator
🧪 Chemical Data
CAS Number
141-78-6
Molecular formula
C4H8O2
Molar mass
88.11 g/mol
IUPAC name (EN)
ethyl acetate
SMILES
CCOC(=O)C
InChIKey
XEKOWRVHYACXOJ-UHFFFAOYSA-N
📚 Related literature (19 articles)

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

Api AM, Belsito D, Botelho D et al. · (2022) · Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
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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
77.1
Temp. topnienia
-83.2
Density
0.9

Source: PubChem, NIST WebBook. Last updated: 2026-09-02

🔍 External identifiers
13 of 16 ID systems81%
DatabaseIdentifierActions
CAS Registry Number141-78-6Open →
PubChem CID8857[1]Open →
InChIKeyXEKOWRVHYACXOJ-UHFFFAOYSA-N[1]Open →
InChIInChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3[1]
SMILESCCOC(=O)C[1]
EC Number205-500-4[2]Open →
ChEMBLCHEMBL14152[3]Open →
KEGG CompoundD02319Open →
HMDBHMDB0031217Open →
ChemSpider8525[4]Open →
UNII (FDA)76845O8NMZOpen →
NSC Number (NCI)70930Open →
WikiData QIDQ407153Open →

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

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

Further reading

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

Extended Bibliography (5)

  1. ★★☆☆☆ Crossref 🔓 OPEN ❓ unverified Anonymous. "Specification for Ethyl Acetate (All Grades).". https://doi.org/10.1520/d4614-11. link [accessed: 2026-11-05] CC0 (metadata)
  2. ★★☆☆☆ Crossref 🔓 OPEN ❓ unverified Anonymous. "Specification for Ethyl Acetate (All Grades).". https://doi.org/10.1520/d4614-05. link [accessed: 2026-11-05] CC0 (metadata)
  3. ★★☆☆☆ Crossref 🔓 OPEN ❓ unverified Anonymous. "Specification for Ethyl Acetate (All Grades).". https://doi.org/10.1520/d4614-11r19. link [accessed: 2026-11-05] CC0 (metadata)
  4. ★★☆☆☆ Crossref 🔓 OPEN ❓ unverified Anonymous. "Specification for Ethyl Acetate (All Grades).". https://doi.org/10.1520/d4614-95r00. link [accessed: 2026-11-05] CC0 (metadata)
  5. ★★☆☆☆ Crossref 🔓 OPEN ❓ unverified Anonymous. "Specification for Ethyl Acetate (All Grades).". https://doi.org/10.1520/d4614. link [accessed: 2026-11-05] CC0 (metadata)
📡 Spectroscopy — CAS 141-78-6
📊 Spectra (NMR, IR, MS, UV-Vis) (1)

Available spectrum types: IR

IR spectrum (KBr, 4000-400 cm⁻¹)

440 data points · Source: NIST WebBook · NIST ↗ · 📥 JCAMP-DX
🎓 Spectrum interpretation guide (for students)
How to read an IR spectrum
  • 3200-3600 cm⁻¹ — O-H stretch (broad peak = hydrogen bonding)
  • 2850-3000 cm⁻¹ — C-H stretch (sp³)
  • 1650-1750 cm⁻¹ — C=O stretch (ketones, aldehydes, esters)
  • 1400-1600 cm⁻¹ — aromatic ring vibrations
  • 1000-1300 cm⁻¹ — C-O stretch (ethers, alcohols)
  • No absorption = no functional group → compare with a reference

Sources: LibreTexts ↗, Silverstein (Spectrometric ID) ↗

📚 Scientific references (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. ↗
Structural properties
ParameterValueUnit
Molecular formulaC4H8O2
Molar mass88.11g/mol
Exact mass88.052429494Da
Monoisotopic mass88.052429494Da
Topological polar surface area (TPSA)26.3000Ų
XLogP30.7000
Complexity index49.5
Hydrogen bond donors0
Hydrogen bond acceptors2
Rotatable bonds2
Heavy atoms6
Stereocentres (atoms)0
Stereocentres (bonds)0
3D volume73.8000ų
Number of 3D conformers9
Conformer model RMSD0.4000Å
Effective 3D rotors2
H-bond acceptors (3D)1
H-bond donors (3D)0
Rings (3D)0
Hydrophobic centres (3D)0
Steric quadrupole 3D (X/Y/Z)3.36 / 1.07 / 0.58Ų

Source: PubChem Computed Properties, CID 8857

❓ Frequently asked questions (3)
What is ethyl acetate?
ethyl acetate (CAS 141-78-6) is a chemical compound. The chemical data comes from PubChem (National Institutes of Health, USA).
Helpful?
What is the CAS number of ethyl acetate?
The CAS number for ethyl acetate is 141-78-6. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.
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How should ethyl acetate be stored?
ethyl acetate 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.
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Download structure files

Molecular structure files from the PubChem database (NIH). Compatible with Avogadro, PyMOL, Jmol, and ChemDraw.

Source: PubChem, National Library of Medicine (NIH). CID: 8857

🔄 Concentration unit converter LIVE

Enter the Ethyl Acetate concentration in any unit — the rest will be calculated automatically.

MW: 88.11 g/mol · IUPAC Gold Book ↗

⚗️ Conversion formulas + citations (per formula)
ConversionFormulaAccuracySource
% (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)
📚 Bibliography (8 authoritative sources)
  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
Similar molecular structures

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Calculations per: IUPAC Gold Book ↗, Merck ↗

Computational chemistry

Molecular descriptors

ParameterValueUnit
XLogP3 (lipophilicity)0.70
lipophilic (prefers organic phase)
Topological polar surface area (TPSA)26.30Ų
low polarity, good blood-brain barrier penetration
Complexity index49.5
Formal charge0
neutral molecule

Lipinski's Rule of Five

CriterionValueRuleStatus
Molar mass88.11 g/mol<= 500✓
XLogP30.70<= 5✓
Hydrogen bond donors0<= 5✓
Hydrogen bond acceptors2<= 10✓

The compound satisfies Lipinski's rule — potentially good oral bioavailability.

3D pharmacophore features

ParameterValueUnit
H-bond acceptors (3D)1
H-bond donors (3D)0
Rings (3D)0
Hydrophobic centres (3D)0
Anionic centres (3D)0
Cationic centres (3D)0

Shape and volume

ParameterValueUnit
3D volume73.80ų
Rotatable bonds2
Heavy atoms6

The TPSA interpretations and Lipinski's rule are empirical rules for small-molecule oral drugs (Lipinski 1997, Veber 2002, Kelder 1999). They are not an assessment of the absorption or toxicity of this substance — safety data are given in the Safety Data Sheet.

Source: PubChem Computed Properties, CID 8857

🛡️ Safety — CAS 141-78-6
Data limitations notice. The safety information on this page is for reference only and does not replace a full safety data sheet (SDS). Before using the product, consult the manufacturer's current safety data sheet and the GHS/CLP guidance. The CLP classification applies to the pure bulk substance, not to commercial formulations.

GHS/CLP classification — Regulation (EC) No 1272/2008 + UN GHS Rev. 9 (2021).

⚠️ Danger
GHS02 — Flammable
GHS02 Flammable
GHS07 — Irritant / harmful
GHS07 Irritant / harmful

🚨 Hazard statements (H)

  • H225 — Highly flammable liquid and vapour
  • H336 — May cause drowsiness or dizziness
  • H319 — Causes serious eye irritation
  • EUH066

🛡 Precautionary statements (P)

  • P210 — Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking
  • P233 — Keep container tightly closed
  • P240 — Ground and bond container and receiving equipment
  • P261 — Avoid breathing dust/fume/gas/mist/vapours/spray
  • P264 — Wash thoroughly after handling
  • P271 — Use only outdoors or in a well-ventilated area
  • P280 — Wear protective gloves/protective clothing/eye protection/face protection
  • P303+P361+P353 — IF ON SKIN (or hair): Take off immediately all contaminated clothing; Rinse skin with water or shower
  • P304+P340 — IF INHALED: Remove person to fresh air and keep comfortable for breathing
  • P305+P351+P338 — IF IN EYES: Rinse cautiously with water for several minutes; Remove contact lenses, if present and easy to do. Continue rinsing
  • P312 — Call a POISON CENTER or doctor/physician if you feel unwell
  • P337+P313 — If eye irritation persists: Get medical advice/attention
  • P370+P378 — In case of fire: Use appropriate media to extinguish
  • P403+P235 — Store in a well-ventilated place: Keep cool
  • P403+P233 — Store in a well-ventilated place: Keep container tightly closed
  • P405 — Store locked up
  • P501 — Dispose of contents/container to an approved waste collection point

✓ Harmonised classification pursuant to Annex VI of the CLP Regulation (EC) 1272/2008 (official, binding classification). Index number: 607-022-00-5.

Reference (Chicago): European Chemicals Agency. "ethyl acetate, Index No. 607-022-00-5." 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.

Translations: CLP Regulation (EC) 1272/2008, Annexes III and IV. Data: PubChem/NLM.

📚 Consolidated scientific references — Chicago Author-Date 10 sources

References collected from all Safety Hub tabs. CAS: 141-78-6 · 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, Regulations
  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. First aid, Toxicology
  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. [↗] First aid, PPE, Toxicology
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms." CEN, Brussels. [↗] PPE
  6. UNECE. 2023. "European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." United Nations, Geneva. [↗] Disposal, Regulations
  7. National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗] Storage
  8. Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗] Storage
  9. Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. National rules — Poland [↗] Disposal
  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. [↗] Toxicology

Tabs with their own references (Emergency, PPE, Storage, Waste) contain additional bibliographic entries within their respective sections.

📈 Analytical statistics (t-test · RSD · Grubbs · Q-Dixon) ICH Q2

Paste a series of replicate measurements (CSV, or one number per line). The calculator computes the mean, standard deviation and 95% CI, and detects outliers (Grubbs + Dixon Q).

Separator: comma, space, tab, new line. Minimum 3 measurements.
📐 Statistical formulas
  • x̄ = Σxᵢ / n — arithmetic mean
  • s² = Σ(xᵢ - x̄)² / (n-1) — sample variance
  • s = √s² — standard deviation
  • RSD% = (s / x̄) × 100% — relative standard deviation
  • CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
  • G = |xᵢ - x̄| / s — Grubbs' test
  • Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

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

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📜 Recipe history (last 10)
🚚 Transport classification (ADR / IATA / IMDG) UN 1173
UN Number
UN 1173
ETHYL ACETATE
Source: Karta SDS sek.14 (kanon zmaterializowany)

🛣️ ADR Road Transport

Class:
3 — Materiały ciekłe zapalne
Packing Group:
II
Shipping name:
ETHYL ACETATE
📅 Project Planner — Lab Experiment Manager NEW

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🧪 Solubility and solvent compatibility
Molecule
Ethyl Acetate
Formula
C4H8O2
logP
0.73
Mass (g/mol)
88.11
Polarity
Moderate

⚠️ HSP estimate (literature / group contribution). Indicative data — does not replace experimental studies.

Ra < R₀ = good miscibility · Ra < 1,5×R₀ = borderline · above = poor (R₀ — radius of the Hansen sphere of this molecule) For this molecule R₀ = 7.5.

Solvent Compat. Ra Visual GC-MS HPLC Applications References
Water (H₂O)80 g/L (measured)36.7
✗ NoA (aqueous) (RP)
buffercell cultureanalyticalextraction (hydrophilic)
Ethanol (EtOH)miscible12.7
✗ NoA/B modifier (RP/NP)
extractionspectroscopy (UV-Vis)synthesisHPLC modifier
Methanol (MeOH)− Poor16.7
✗ NoA/B (RP) (RP)
HPLC (eluent)LC-MSKarl FischerUV-transparent to 205 nm
Acetone+ Good5.1
✗ NoB modifier (NP)
GC headspacecrystallisationdegreasingsynthesis
Acetonitrile (ACN)− Poor12.8
✗ NoB (RP) (RP)
HPLC eluent (gold standard)LC-MS (low UV cut-off, 190 nm)peptide analysis
DMSO− Poor12.6
✗ NoN/A (N/A)
NMR (d6-DMSO)cell biology (cryopreservation)drug deliverysynthesis
THF+ Good2.2
✗ NoB (NP) (NP)
GPC/SEC (polymer analysis)Grignard synthesisorganometallics
DCM (CH₂Cl₂)+ Good5.0
✓ YesB (NP) (NP)
extractionNP-HPLCGC-MScrystallisation (anti-solvent)
Chloroform (CHCl₃)+ Good4.8
✓ YesN/A (toxic) (N/A)
NMR (CDCl3)lipid extraction (Folch method)NP-TLC
Hexane~ Avg.9.1
✓ YesA (NP) (NP)
NP-HPLCoil extraction (lipids)GC-MSTLC (NP)
Toluene~ Avg.7.8
✓ YesB (NP) (NP)
NMR (d8-toluene)synthesisazeotropic drying (Dean-Stark)
📚 Scientific references for solvents (Chicago Author-Date) — click to expand

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 — peripheral neuropathy (n-hexane is NOT an IARC carcinogen)
  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
Solubility theory (applied in compatibility prediction):
  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 — HSP triplet (dD, dP, dH) + Ra formula.
  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 — Complete tabular set of 250+ solvents (ε, μ, donicity, acceptor numbers).
  8. PubChem Compound Database — CAS 141-78-6 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Full bibliography in the REFERENCES accordion (at the bottom of the page) — Chicago Manual of Style 17th ed., Author-Date.

⚗️ Check reaction compatibility
1 3 0
Health: 1/4
Flammability: 3/4
Reactivity: 0/4
Per NFPA 704 / calculated from H-codes

Check whether Ethyl Acetate is compatible with another reagent

📦 Storage compatibility matrix
Acids Bases Oxidizers Flammable Toxic Gazy
Acids ✓ ✗ ✗ ✗ ⚠ ✗
Bases ✗ ✓ ⚠ ⚠ ⚠ ⚠
Oxidizers ✗ ⚠ ✓ ✗ ⚠ ✗
Flammable ✗ ⚠ ✗ ✓ ⚠ ✗
Toxic ⚠ ⚠ ⚠ ⚠ ✓ ⚠
Gazy ✗ ⚠ ✗ ✗ ⚠ ✓
✓ Can be stored together · ⚠ Caution · ✗ Do NOT store together · OSHA Chemical Segregation ↗

Compatibility data from: Bretherick's Handbook (7th ed.) ↗, GESTIS ↗, ECHA REACH ↗, NFPA 704 ↗

🧮 Laboratory calculators (8)
Dilution (C₁V₁=C₂V₂)
Molarity (M=n/V)
pH Buffer (Henderson-Hasselbalch)
Beer-Lambert (A=εcl)
Mass → Moles
Concentration % → M
ppm → mg/L
Temperature C↔F↔K

Verified formulas: IUPAC Gold Book ↗, DOI ↗

📊 Spectroscopic Databases
📋 Laboratory protocol generator

Protocol generated based on: GHS SDS, Aldrich Lab Guide ↗

🏷️ Label generator (QR)
Ethyl acetate• Ethyl ethanoate / Acetic acid ethyl ester• IUPAC: ethyl acetate• CAS: 141-78-6• EC: 205-500-4• Formula: C4H8O2• Mass: 88.11 g/molDANGERGHS HAZARD STATEMENTS:H225 H319 H336 EUH066P303+P361+P353 P304+P340 P305+P351+P338 P337+P313 P370+P378 P312 P280P501 P403+P235 P403+P233 P405 P210 P233 P240 P261 P264 P271FOR LABORATORY USE ONLY!Nonsensia Ltd124-128 City Road, EC1V 2NX London[email protected]molgod.orgBatch No.: Net Mass:
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📚 Scientific literature overview — CAS 141-78-6
⭐ Key findings (scientific literature) 19 publications
🏆 CAS 141-78-6 — multi-criteria ranking (W12): 30% citations · 20% recency · 20% topic · 15% historical · 15% open access.
  1. #1
    et al. (2025) · Journal of the American Chemical Society
    Why it matters: Recent (2025) · open access
    SCORE 8.86 Mechanism Citations: 3 Open Access DOI ↗ PubMed ↗
  2. #2
    Chao Cheng, Yang Cong, Cunbin Du et al. (2016) · The Journal of Chemical Thermodynamics
    Why it matters: 104 citations
    SCORE 8.66 Analytics Citations: 104 DOI ↗
  3. #3
    et al. (2026) · Scientific Reports
    Why it matters: Recent (2026) · open access
    SCORE 7.85 Industrial Open Access DOI ↗ PubMed ↗
  4. #4
    et al. (2025) · Scientific Reports
    Why it matters: Recent (2025) · open access
    SCORE 7.85 Mechanism Open Access DOI ↗ PubMed ↗
  5. #5
    et al. (2026) · Molecules
    Why it matters: Recent (2026) · open access
    SCORE 7.05 Analytics Open Access DOI ↗ PubMed ↗
  6. #6
    et al. (2026) · Frontiers in Pharmacology
    Why it matters: Recent (2026) · open access
    SCORE 7.05 Mechanism Open Access DOI ↗ PubMed ↗
  7. #7
    et al. (2026) · Brazilian Journal of Biology
    Why it matters: Recent (2026) · open access
    SCORE 7.05 Mechanism Open Access DOI ↗ PubMed ↗
  8. #8
    et al. (2025) · ChemistryOpen
    Why it matters: Recent (2025) · open access
    SCORE 7.05 Mechanism Open Access DOI ↗ PubMed ↗
  9. #9
    et al. (2025) · Biochemistry Research International
    Why it matters: Recent (2025) · open access
    SCORE 6.25 Pharmacology Open Access DOI ↗ PubMed ↗
  10. #10
    Muhammad Farooq Khan; Mohammad Ahmad Wadaan (2026) · Pharmaceuticals
    Why it matters: Recent (2026) · open access
    SCORE 6.25 Mechanism Open Access DOI ↗ PubMed ↗
  11. #11
    et al. (2026) · ACS Omega
    Why it matters: Recent (2026) · open access
    SCORE 6.25 Mechanism Open Access DOI ↗ PubMed ↗
  12. #12
    et al. (2026) · Chemistry & Biodiversity
    Why it matters: Recent (2026) · open access
    SCORE 6.25 Mechanism Open Access DOI ↗ PubMed ↗
  13. #13
    et al. (2026) · Nanomaterials
    Why it matters: Recent (2026) · open access
    SCORE 6.25 Mechanism Open Access DOI ↗ PubMed ↗
  14. #14
    et al. (2026) · Research in Pharmaceutical Sciences
    Why it matters: Recent (2026) · open access
    SCORE 6.25 Pharmacology Open Access DOI ↗ PubMed ↗
  15. #15
    Anandhabhairavi N, Shanthi M, Chinniah C et al. (2021) · Madras Agricultural Journal
    Why it matters: Open access
    SCORE 5.55 Pharmacology Open Access DOI ↗
  16. #16
    (2026)
    Why it matters: Recent (2026)
    SCORE 4 Mechanism DOI ↗ PubMed ↗
  17. #17
    Api AM, Belsito D, Botelho D et al. (2022) · Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 3.6 Mechanism DOI ↗ PubMed ↗
  18. #18
    Zhang S, Guo F, Yan W et al. (2020) · Applied microbiology and biotechnology
    Why it matters: Review
    SCORE 3 Review DOI ↗ PubMed ↗
  19. #19
    Löser C, Urit T, Bley T (2014) · Applied microbiology and biotechnology
    Why it matters: Review
    SCORE 1.2 Review DOI ↗ PubMed ↗

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If the available evidence cannot support a defensible document for your CAS number and product specification, we will not invent the missing values. You receive a documented gap report and choose: a refund, store credit, or the report on its own.

A visible gap is worth more than a plausible number, because the plausible number is the one that fails when somebody checks it.

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If a signed card is rejected by an authority or by a customer’s compliance officer on one of the points we checked and reported as passed, we re-issue it corrected at no charge and credit the original fee.

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China Ethyl Acetate Supplier, Manufacturer – Factory Direct Price — CAS 141-78-6. Prepared from the supplier’s public catalogue; not verified against their internal data.

📄 Certificates of Analysis (CoA) CAS 141-78-6 none

No certificates for this product in the database.

📚 Scientific references (Chicago Author-Date) — click to expand

Batch management and laboratory certification standards — 13 independent sources (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
Data from PubChemSource: PubChem (NIH) · ChEMBL
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📚 REFERENCES (Aggregate bibliography, Chicago Author-Date) 78 items

All scientific sources cited in the accordions above for CAS 141-78-6. Format: Chicago Manual of Style 17th ed., Author-Date system.

🗄️ Scientific databases

  1. NIST. n.d. NIST Chemistry WebBook: CAS 141-78-6. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=141-78-6.
  2. AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 141-78-6. 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 141-78-6. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=141-78-6.

📐 Standards / Guidelines

  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.

📖 Books

  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.

📄 Scientific articles (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.

🌐 Websites

  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 — Annex VI to CLP (harmonised classification, 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.
  25. 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.
  26. 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.
  27. 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.
  28. International Air Transport Association. 2026. Dangerous Goods Regulations (DGR). 67th ed. Montreal: IATA. https://www.iata.org/en/programs/cargo/dgr/.
  29. 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.
  30. 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.
  31. 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.
  32. 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.
  33. 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. National rules — Poland
  34. Główny Inspektorat Ochrony Środowiska (GIOŚ). 2024. "Baza Danych O Odpadach (BDO) — System rejestracji firm utylizacyjnych." Ministerstwo Klimatu i Środowiska. https://bdo.mos.gov.pl/. National rules — Poland
  35. 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. National rules — Poland
  36. Furr, A. Keith, ed.. 2000. "CRC Handbook of Laboratory Safety." CRC Press.
  37. Pohanish, Richard P.. 2017. "Sittig's Handbook of Toxic and Hazardous Chemicals and Carcinogens." Elsevier.
  38. Lewis, Richard J.. 2012. "Sax's Dangerous Properties of Industrial Materials." Wiley.
  39. NIOSH. 2024. "Pocket Guide to Chemical Hazards." U.S. Department of Health and Human Services. https://www.cdc.gov/niosh/npg/.
  40. OSHA. 2024. "Occupational Chemical Database — Hazardous Waste Operations (HAZWOPER)." Occupational Safety and Health Administration. https://www.osha.gov/chemicaldata.
  41. 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.
  42. 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.
  43. 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.
  44. IPCS INCHEM. 2024. "International Programme on Chemical Safety — Waste Management Guidelines." WHO/UNEP/ILO. https://www.inchem.org/.
  45. 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.
  46. 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.
  47. 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.
  48. World Health Organization. 2010. "WHO Good Manufacturing Practices for Pharmaceutical Products: Main Principles (WHO Technical Report Series No. 957, Annex 3)." WHO Press. https://www.who.int/publications/m/item/trs957-annex3.
  49. International Council for Harmonisation (ICH). 2003. "ICH Q1A(R2): Stability Testing of New Drug Substances and Products." International Council for Harmonisation. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf.
  50. 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.
  51. 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.
  52. International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. https://database.ich.org/sites/default/files/Q10%20Guideline.pdf.
  53. 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.
  54. 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.
  55. United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. https://www.uspnf.com/.
  56. European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. https://www.edqm.eu/en/european-pharmacopoeia-ph-eur-11th-edition.
  57. Pharmaceutical Inspection Co-operation Scheme (PIC/S). 2021. "Guide to Good Manufacturing Practice for Medicinal Products PE 009-15." PIC/S Secretariat, Geneva. https://picscheme.org/en/publications.
  58. International Pharmaceutical Excipients Council (IPEC) and Pharmaceutical Quality Group (PQG). 2017. "Joint IPEC-PQG Good Manufacturing Practices Guide for Pharmaceutical Excipients." IPEC-Americas. https://ipecamericas.org/sites/default/files/IPECPQGGMPGuide2017.pdf.
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📜 License & provenance
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
ethyl acetate · 141-78-6
InChIKey
XEKOWRVHYACXOJ-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — ethyl acetate (CAS 141-78-6)
License & provenance record
ethyl acetate (CAS 141-78-6) →
MolGod molecule record
ethyl acetate →
Source data
PubChem CID 8857 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
b005bc7ecbdd5366032f943469c0398a7cc593a27180776b9fd8afd24739b98e
MD5 (STL)
c113aef5dba5b450ab04b2eadef9b9a3
MolGod Identification Number
MG_351-116-141-89
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
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