Geranyl acetate
Properties
- Molecular formula
- C12H20O2
- Molar mass
- 196.29 g/mol
- Exact mass
- 196.1463 Da
- Density
- 0.9174 g/mL (at 15 °C)
- Melting point
- below 25 °C
- Boiling point
- 240 °C
- logP
- 3.24Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 5
Identifiers
CAS number
8022-83-1SMILES
CC(=O)OC/C=C(C)CCC=C(C)CInChIKey
HIGQPQRQIQDZMP-DHZHZOJOSA-NInChI
InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
17 names · show all
- 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2E)-
- Geraniol acetate
- 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-
- 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2E)-
- Acetic acid geraniol ester
- trans-3,7-Dimethyl-2,6-octadien-1-yl acetate
- Bay pine (oyster) oil
- Geranyl ethanoate
- trans-Geranyl acetate
- β-Geranyl acetate
- trans-1-Acetoxy-3,7-dimethyl-2,6-octadiene
- (E)-3,7-Dimethyl-2,6-octadienyl acetate
- NSC 2584
- (E)-3,7-Dimethyl-2,6-octadien-1-ol acetate
- Acetic acid (2E)-3,7-dimethyl-2,6-octadienyl ester
- 3,7-Dimethyl-2,6-octadien-1-ol acetate
- Acetic acid geranyl ester
Work with Geranyl 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
Farnesyl acetate29548-30-997 % similar
trans-3,7-Dimethyl-2,6-octadienyl 5,9,13-trimethyl-4,8,12-tetradecatrienoate51-77-469 % similar
Prenyl acetate1191-16-867 % similar
Geranyl propionate105-90-865 % similar
Geranyl butyrate106-29-663 % similar
Geranyl isobutyrate2345-26-863 % similar
Geranyl isovalerate109-20-660 % similar
Geranyl formate105-86-258 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds