trans-2-Hexenyl acetate
Properties
- Molecular formula
- C8H14O2
- Molar mass
- 142.20 g/mol
- Exact mass
- 142.0994 Da
- Density
- 0.89–0.897 g/mL
- Boiling point
- 166 °C
- logP
- 1.91Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 4
- Double bonds
- EE/Z, in SMILES order
Hazards
Warning
- H226 Flammable liquid and vapor91.9% of notifiers
Aggregated from 1,578 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
2497-18-9SMILES
CCC/C=C/COC(C)=OInChIKey
HRHOWZHRCRZVCU-AATRIKPKSA-NInChI
InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5+Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- 2-Hexen-1-ol, 1-acetate, (2E)-
- 2-Hexen-1-ol, acetate, (E)-
- 2-Hexen-1-ol, acetate, (2E)-
- (E)-2-Hexenyl acetate
- (E)-2-Hexen-1-yl acetate
- (2E)-Hexenyl acetate
- (E)-1-Acetoxy-2-hexene
- (E)-2-Hexen-1-ol acetate
- Acetic acid (E)-2-hexenyl ester
- 2-Hexenyl acetate, (2E)-
Work with trans-2-Hexenyl 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-butene25260-60-072 % similar
(Z)-8-Dodecenyl acetate28079-04-164 % similar
trans-2-Hexenyl butyrate53398-83-759 % similar
(Z)-7-Dodecenyl acetate14959-86-554 % similar
(Z)-11-Hexadecenyl acetate34010-21-454 % similar
(E)-2-Hexenyl hexanoate53398-86-054 % similar
2,4-Hexadienyl acetate1516-17-253 % similar
Propyl acetate109-60-452 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.