1.0
2010-04-08 22:04:33 UTC
2019-11-26 02:54:45 UTC
FDB000412
Geranyl hexanoate
Found in kumquat peel and palmarosa oils, also in purple passion fruit and pawpaw. Flavouring agent
(2E)-3,7-Dimethyl-2,6-octadienyl hexanoate
(e)-3,7-Dimethyl-2,6-octadienyl hexanoate
(E)-3,7-Dimethylocta-2,6-dien-1-yl n-hexanoate
2,6-Octadien-1-ol, 3,7-dimethyl-, hexanoate, (E)-
3,7-Dimethyl-2,6-octadien-1-yl hexanoate, trans-
3,7-Dimethyl-2,6-octadienyl ester(e)-hexanoic acid
3,7-Dimethyl-2,6-octadienyl hexanoate, (E)-
3,7-Dimethyl-hexanoate(e)-2,6-octadien-1-ol
3,7-Dimethylocta-2,6-dien-1-yl ester(e)-hexanoic acid
FEMA 2515
Geranyl caproate
Geranyl hexanoate
Geranyl n-hexanoate
Hexanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
Hexanoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester
Hexanoic acid, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester
Hexanoic acid, (2Z)-3,7-dimethyl-2,6-octadienyl ester
Hexanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
Hexanoic acid, 3,7-dimethylocta-2,6-dien-1-yl ester, (E)-
Neryl caproate
Neryl hexanoate
trans-3,7-Dimethyl-2,6-octadien-1-yl hexanoate
C16H28O2
252.3923
252.20893014
(2Z)-3,7-dimethylocta-2,6-dien-1-yl hexanoate
(2Z)-3,7-dimethylocta-2,6-dien-1-yl hexanoate
10032-02-7
CCCCCC(=O)OC\C=C(\C)CCC=C(C)C
InChI=1S/C16H28O2/c1-5-6-7-11-16(17)18-13-12-15(4)10-8-9-14(2)3/h9,12H,5-8,10-11,13H2,1-4H3/b15-12-
ARVSCQUZFFSNKF-QINSGFPZSA-N
belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.
Fatty alcohol esters
Organic compounds
Lipids and lipid-like molecules
Fatty Acyls
Fatty alcohol esters
Aliphatic acyclic compounds
Acyclic monoterpenoids
Carbonyl compounds
Carboxylic acid esters
Fatty acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Acyclic monoterpenoid
Aliphatic acyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Fatty acid ester
Fatty alcohol ester
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Monoterpenoid
Organic oxide
Organic oxygen compound
Organooxygen compound
Wax monoesters
Liquid
logp
5.90
logs
-4.30
solubility
1.27e-02 g/l
logp
4.98
pka_strongest_basic
-7
iupac
(2Z)-3,7-dimethylocta-2,6-dien-1-yl hexanoate
average_mass
252.3923
mono_mass
252.20893014
smiles
CCCCCC(=O)OC\C=C(\C)CCC=C(C)C
formula
C16H28O2
inchi
InChI=1S/C16H28O2/c1-5-6-7-11-16(17)18-13-12-15(4)10-8-9-14(2)3/h9,12H,5-8,10-11,13H2,1-4H3/b15-12-
inchikey
ARVSCQUZFFSNKF-QINSGFPZSA-N
polar_surface_area
26.3
refractivity
78.76
polarizability
31.76
rotatable_bond_count
10
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
23923
Specdb::CMs
29115
Specdb::CMs
100296
Specdb::CMs
137594
Specdb::CMs
145328
Specdb::MsMs
319021
Specdb::MsMs
319022
Specdb::MsMs
319023
Specdb::MsMs
365992
Specdb::MsMs
365993
Specdb::MsMs
365994
Specdb::MsMs
2761726
Specdb::MsMs
2761727
Specdb::MsMs
2761728
Specdb::MsMs
2947158
Specdb::MsMs
2947159
Specdb::MsMs
2947160
HMDB29351
#<Reference:0x000055567455ca38>
Citrus
Unknown
generic
Fruits
Unknown
generic
fruity
geranium
rose
waxy