1.0
2010-04-08 22:13:09 UTC
2015-07-20 23:39:38 UTC
FDB017551
Geranyl phenylacetate
Flavouring ingredient
(2E)-3,7-Dimethyl-2,6-octadienyl phenylacetate
3,7-Dimethyl-2,6-octadienyl ester(e)-benzeneacetic acid
Benzeneacetic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
FEMA 2516
Geranyl α-toluate
Geranyl alpha -toluate
Geranyl phenylacetate
Phenylacetic acid, geranyl ester
Phenylacetyl geranate
trans-3,7-Dimethyl-2,6-octadienyl phenylacetate
C18H24O2
272.382
272.177630012
(2Z)-3,7-dimethylocta-2,6-dien-1-yl 2-phenylacetate
(2Z)-3,7-dimethylocta-2,6-dien-1-yl 2-phenylacetate
102-22-7
CC(C)=CCC\C(C)=C/COC(=O)CC1=CC=CC=C1
InChI=1S/C18H24O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-12H,7,9,13-14H2,1-3H3/b16-12-
UXAIJXIHZDZMSK-VBKFSLOCSA-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
Aromatic homomonocyclic compounds
Aromatic monoterpenoids
Benzene and substituted derivatives
Carbonyl compounds
Carboxylic acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Monocyclic monoterpenoids
Organic oxides
Aromatic homomonocyclic compound
Aromatic monoterpenoid
Benzenoid
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Fatty alcohol ester
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Monocyclic benzene moiety
Monocyclic monoterpenoid
Monoterpenoid
Organic oxide
Organic oxygen compound
Organooxygen compound
logp
5.85
logs
-4.53
solubility
8.02e-03 g/l
logp
4.78
pka_strongest_basic
-7.1
iupac
(2Z)-3,7-dimethylocta-2,6-dien-1-yl 2-phenylacetate
average_mass
272.382
mono_mass
272.177630012
smiles
CC(C)=CCC\C(C)=C/COC(=O)CC1=CC=CC=C1
formula
C18H24O2
inchi
InChI=1S/C18H24O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-12H,7,9,13-14H2,1-3H3/b16-12-
inchikey
UXAIJXIHZDZMSK-VBKFSLOCSA-N
polar_surface_area
26.3
refractivity
85.06
polarizability
32.03
rotatable_bond_count
8
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
23131
Specdb::CMs
133139
Specdb::CMs
140873
Specdb::MsMs
317353
Specdb::MsMs
317354
Specdb::MsMs
317355
Specdb::MsMs
363808
Specdb::MsMs
363809
Specdb::MsMs
363810
Specdb::MsMs
3043915
Specdb::MsMs
3043916
Specdb::MsMs
3043917
Specdb::MsMs
3100309
Specdb::MsMs
3100310
Specdb::MsMs
3100311
HMDB38257
#<Reference:0x0000555675aab998>
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