Methyl acetate

C₃H₆O₂CAS 79-20-974.08 g/mol

Open in Covalent MOL file

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
logP: 0.18Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

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

Weigh it out

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

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 Propionic acid79-09-4

Elsewhere

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