Vinyl butyrate
Properties
- Molecular formula
- C6H10O2
- Molar mass
- 114.14 g/mol
- Exact mass
- 114.0681 Da
- Density
- 0.8966 g/mL (at 20 °C)
- Melting point
- 116.7 °C
- Boiling point
- 107–108 °C
- Flash point
- 20 °C
- logP
- 1.47Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H332 Harmful if inhaled95.1% of notifiers
Aggregated from 41 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, P317, P370+P378, P403+P235, P501
Identifiers
CAS number
123-20-6SMILES
C=COC(=O)CCCInChIKey
MEGHWIAOTJPCHQ-UHFFFAOYSA-NInChI
InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h4H,2-3,5H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Butanoic acid, ethenyl ester
- Butyric acid, vinyl ester
- Vinyl butanoate
- Vinyl n-butyrate
- NSC 5280
- Ethenyl butanoate
Work with Vinyl butyrate
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
Vinyl hexanoate3050-69-975 % similar
Vinyl stearate111-63-772 % similar
Vinyl laurate2146-71-672 % similar
Vinyl decanoate4704-31-872 % similar
Divinyl adipate4074-90-265 % similar
Vinyl propionate105-38-463 % similar
Allyl butyrate2051-78-755 % similar
Butyric anhydride106-31-054 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.