Citronellyl butyrate
Properties
- Molecular formula
- C14H26O2
- Molar mass
- 226.36 g/mol
- Exact mass
- 226.1933 Da
- Density
- 0.8898–0.8928 g/mL (at 15 °C)
- Boiling point
- 135–139 °C (at 13 Torr)
- logP
- 4.10Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 8
Hazards
Not classified as hazardous under GHS by 1,669 ECHA notifiers. Aggregated from 1,669 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Identifiers
CAS number
141-16-2SMILES
CCCC(=O)OCCC(C)CCC=C(C)CInChIKey
XQPZQXTWYZAXAK-UHFFFAOYSA-NInChI
InChI=1S/C14H26O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,13H,5-7,9-11H2,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
12 names
- Butanoic acid, 3,7-dimethyl-6-octen-1-yl ester
- Butyric acid, 3,7-dimethyl-6-octenyl ester
- Butanoic acid, 3,7-dimethyl-6-octenyl ester
- Butyric acid, ester with citronellol
- 6-Octen-1-ol, 3,7-dimethyl-, butyrate
- 2,6-Dimethyl-2-octen-8-ol ester with butyric acid
- 2,6-Dimethyl-2-octen-8-yl butyrate
- Citronellyl n-butyrate
- Citronellyl butanoate
- 3,7-Dimethyl-6-octenyl butanoate
- Citronellol butyrate
- NSC 46147
Work with Citronellyl butyrate
Similar compounds
Citronellyl propionate141-14-075 % similar
Citronellyl acetate150-84-563 % similar
Isoamyl butyrate106-27-455 % similar
Citronellyl formate105-85-153 % similar
Geranyl butyrate106-29-653 % similar
3-Sulfanylhexyl butyrate136954-21-748 % similar
Propyl butyrate105-66-847 % similar
cis-3-Hexenyl butanoate16491-36-445 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds