Allyl acetate

C5H8O2CAS 591-87-7100.12 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C5H8O2
Molar mass
100.12 g/mol
Exact mass
100.0524 Da
Density
0.9275 g/mL (at 20 °C)
Melting point
−82 °C
Boiling point
103.5 °C
Flash point
22 °C
Water solubility
28 g/L (20 °C)
logP
0.74Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Danger
Flammable (GHS02)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P320, P321, P330, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
591-87-7
SMILES
C=CCOC(C)=O
InChIKey
FWZUNOYOVVKUNF-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3

Weigh it out

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

Names and synonyms

8 names
  • Acetic acid, 2-propen-1-yl ester
  • Acetic acid, allyl ester
  • Acetic acid, 2-propenyl ester
  • Allyl alcohol, acetate
  • 3-Acetoxypropene
  • 3-Acetoxy-1-propene
  • 2-Propen-1-ol acetate
  • NSC 7612

Work with Allyl 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

cis-1,4-Diacetoxy-2-butene25260-60-063 % similar 4-Penten-1-yl acetate1576-85-859 % similar Prenyl acetate1191-16-856 % similar Allyl methacrylate96-05-953 % similar Diallyl dicarbonate115491-93-552 % similar Diallyl maleate999-21-352 % similar Allyl propionate2408-20-052 % similar Methyl 2-propen-1-yl carbonate35466-83-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Vinyl propionate105-38-4 Isopropenyl acetate108-22-5 Gamma-valerolactone108-29-2 Glutaraldehyde111-30-8 Acetylacetone123-54-6 trans-2-Pentenoic acid13991-37-2 Ethyl acrylate140-88-5 3-(Hydroxymethyl)cyclobutan-1-one183616-18-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia