3-Hexenyl acetate
Properties
- Molecular formula
- C8H14O2
- Molar mass
- 142.20 g/mol
- Exact mass
- 142.0994 Da
- Density
- 0.9077 g/mL (at 11 °C)
- Boiling point
- 61 °C (at 12 Torr)
- logP
- 1.91Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 4
Hazards
Warning
- H226 Flammable liquid and vapor98.4% of notifiers
Aggregated from 1,559 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
1708-82-3SMILES
CCC=CCCOC(C)=OInChIKey
NPFVOOAXDOBMCE-UHFFFAOYSA-NInChI
InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- 3-Hexen-1-ol, 1-acetate
- 3-Hexen-1-ol, acetate
- 3-Hexen-1-yl acetate
- 1-Acetoxy-3-hexene
- 3-Hexenyl ethanoate
- Hex-3-enyl acetate
Work with 3-Hexenyl acetate
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
cis-3-Hexenyl propionate33467-74-259 % similar
cis-3-Hexenyl butanoate16491-36-456 % similar
cis-3-Hexenyl isobutyrate41519-23-756 % similar
(Z)-3-Hexenyl tiglate67883-79-856 % similar
(Z)-7-Dodecenyl acetate14959-86-554 % similar
(Z)-8-Dodecenyl acetate28079-04-154 % similar
(Z)-11-Hexadecenyl acetate34010-21-454 % similar
Glycol diacetate111-55-754 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.