Methyl acetate

C₃H₆O₂CAS 79-20-974.08 g/mol

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Properties

Molecular formula: C₃H₆O₂
Molar mass: 74.08 g/mol
Exact mass: 74.0368 Da
Density: 0.9342 g/mL (at 20 °C)
Melting point: −98 °C
Boiling point: 56.8 °C
Flash point: -13 °C (closed cup)
Water solubility: 244 g/L (20 °C)
logP: 0.18Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vaporFlammable liquids
H319 Causes serious eye irritationSerious eye damage/eye irritation
H336 May cause drowsiness or dizzinessSpecific target organ toxicity, single exposure; Narcotic effects

Harmonised EU classification (CLP Annex VI, index 607-021-00-X), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

79-20-9

SMILES

COC(C)=O

InChIKey

KXKVLQRXCPHEJC-UHFFFAOYSA-N

InChI

InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

5 names

Acetic acid, methyl ester
Devoton
Tereton
Methyl ethanoate
NSC 405071

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 79-20-9. Each row opens the sheet with its composition and PDF.

Methyl acetate > 95 %Fisher Scientific · 2025-12-19

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Work with Methyl acetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Acetic anhydride108-24-756 % similar Tetraacetoxysilane562-90-347 % similar Glycol diacetate111-55-745 % similar Peracetic acid79-21-045 % similar Dimethyl oxalate553-90-244 % similar Dimethyl carbonate616-38-644 % similar Dimethyldiacetoxysilane2182-66-343 % similar Trimethylsilyl acetate2754-27-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl formate109-94-4 Hydroxyacetone116-09-6 Reuterin2134-29-4 Glycidol556-52-5 (+)-Glycidol57044-25-4 (-)-Glycidol60456-23-7 Dioxolane646-06-0 Oxetan-3-ol7748-36-9

Elsewhere

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