Isopropenyl acetate
Properties
- Molecular formula
- C5H8O2
- Molar mass
- 100.12 g/mol
- Exact mass
- 100.0524 Da
- Density
- 0.909 g/mL (at 20 °C)
- Melting point
- −92.9 °C
- Boiling point
- 97 °C
- Flash point
- 15.6 °C (closed cup)
- logP
- 1.08Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H335 May cause respiratory irritation45.7% of notifiers
Aggregated from 300 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P319, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
108-22-5SMILES
C=C(C)OC(C)=OInChIKey
HETCEOQFVDFGSY-UHFFFAOYSA-NInChI
InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- 1-Propen-2-ol, 2-acetate
- 1-Propen-2-ol, acetate
- Acetic acid isopropenyl ester
- 2-Acetoxypropene
- 2-Acetoxypropylene
- 1-Acetoxy-1-methylethylene
- 1-Methylvinyl acetate
- 2-Acetoxy-1-propene
- NSC 2197
- NSC 8262
- Prop-1-en-2-yl acetate
Work with Isopropenyl 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
1-Methylethenyl carbonochloridate57933-83-254 % similar
α-Trifluoromethylvinyl acetate2247-91-844 % similar
2-(Acetyloxy)-2-propenenitrile3061-65-244 % similar
1,3-Diacetoxypropane628-66-042 % similar
Butylene glycol diacetate628-67-142 % similar
2-Methoxypropene116-11-041 % similar
Tetraacetoxysilane562-90-341 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.