cis-3-Hexenyl acetate

C8H14O2CAS 3681-71-8142.20 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C8H14O2
Molar mass
142.20 g/mol
Exact mass
142.0994 Da
Density
0.896–0.901 g/mL
Boiling point
198 °C
logP
1.91Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

Warning
Flammable (GHS02)

Aggregated from 1,882 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
3681-71-8
SMILES
CC/C=CCCOC(C)=O
InChIKey
NPFVOOAXDOBMCE-PLNGDYQASA-N
InChI
InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-

Weigh it out

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

Names and synonyms

15 names · show all
  • 3-Hexen-1-ol, 1-acetate, (3Z)-
  • 3-Hexen-1-ol, acetate, (Z)-
  • 3-Hexen-1-ol, acetate, (3Z)-
  • (Z)-3-Hexenyl acetate
  • cis-3-Hexenyl ethanoate
  • (Z)-3-Hexen-1-ol acetate
  • (Z)-Hex-3-en-1-yl acetate
  • cis-3-Hexenol acetate
  • cis-Hex-3-en-1-yl acetate
  • (Z)-3-Hexen-1-yl acetate
  • (3Z)-Hexen-1-yl acetate
  • 3Z-Hexenyl acetate
  • cis-3-Hexen-1-ol acetate
  • 3Z-Hexen-1-ol acetate
  • Leaf acetate

Work with cis-3-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

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.

3-Hexenyl acetate1708-82-3

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.

All similar compounds

Same formula

γ-Octalactone104-50-7 1-Methylcyclohexanecarboxylic acid1123-25-7 1-Acetylcyclohexanol1123-27-9 trans-4-Methylcyclohexanecarboxylic acid13064-83-0 tert-Butyl 3-butenoate14036-55-6 Cypionic acid140-77-2 2,5-Dimethyl-3-hexyne-2,5-diol142-30-3 Cycloheptanecarboxylic acid1460-16-8

Elsewhere

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