Ethyl acetate

C₄H₈O₂CAS 141-78-688.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₈O₂
Molar mass: 88.11 g/mol
Exact mass: 88.0524 Da
Density: 0.902 g/mL (at 20 °C)
Melting point: −83 °C
Boiling point: 77 °C
Flash point: -4 °C (closed cup)
Water solubility: 87 g/L (20 °C)
logP: 0.57Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

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), 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

141-78-6

SMILES

CCOC(C)=O

InChIKey

XEKOWRVHYACXOJ-UHFFFAOYSA-N

InChI

InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3

Weigh it out

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

Names and synonyms

12 names

Acetic acid ethyl ester
Acetic acid, ester with EtOH
Acetic ether
Acetidin
Ethyl ethanoate
Vinegar naphtha
Acetoxyethane
EtOAc
NSC 70930
Acetic acid, ethyl ester
DY 026
1: PN: CN110526858 SEQID: 1 claimed sequence

Safety data sheets

Work with Ethyl 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

2-Ethoxyethyl acetate111-15-963 % similar Glycol diacetate111-55-760 % similar Carbitol acetate112-15-260 % similar Propyl acetate109-60-457 % similar 1,3-Diacetoxypropane628-66-055 % similar Butylene glycol diacetate628-67-155 % similar Diethyl carbonate105-58-852 % similar 1,8-Diacetoxy-3,6-dioxaoctane111-21-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Hydroxybutanal107-89-1 Butyric acid107-92-6 2-Butene-1,4-diol110-64-5 Propyl formate110-74-7 1,4-Dioxane123-91-1 1,4-Dioxane-D817647-74-4 2-Methylene-1,3-propanediol3513-81-3 3-Hydroxytetrahydrofuran453-20-3

Elsewhere

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