1.0
2010-04-08 22:13:43 UTC
2018-05-29 01:36:39 UTC
FDB018440
Citronellyl cinnamate
It is used in food flavouring
2-Propenoic acid, 3-phenyl-, 3,7-dimethyl-6-octenyl ester
Citronellyl cinnamate
C19H26O2
286.4085
286.193280076
3,7-dimethyloct-6-en-1-yl (2E)-3-phenylprop-2-enoate
3,7-dimethyloct-6-en-1-yl (2E)-3-phenylprop-2-enoate
10482-79-8
CC(CCOC(=O)\C=C\C1=CC=CC=C1)CCC=C(C)C
InChI=1S/C19H26O2/c1-16(2)8-7-9-17(3)14-15-21-19(20)13-12-18-10-5-4-6-11-18/h4-6,8,10-13,17H,7,9,14-15H2,1-3H3/b13-12+
KMXKQELDKDGFRN-OUKQBFOZSA-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
Carbonyl compounds
Cinnamic acid esters
Enoate esters
Fatty acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Monocyclic monoterpenoids
Organic oxides
Styrenes
Alpha,beta-unsaturated carboxylic ester
Aromatic homomonocyclic compound
Aromatic monoterpenoid
Benzenoid
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Cinnamic acid ester
Cinnamic acid or derivatives
Enoate ester
Fatty acid ester
Fatty alcohol ester
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Monocyclic benzene moiety
Monocyclic monoterpenoid
Monoterpenoid
Organic oxide
Organic oxygen compound
Organooxygen compound
Styrene
logp
5.74
logs
-5.39
solubility
1.16e-03 g/l
logp
5.79
pka_strongest_basic
-6.8
iupac
3,7-dimethyloct-6-en-1-yl (2E)-3-phenylprop-2-enoate
average_mass
286.4085
mono_mass
286.193280076
smiles
CC(CCOC(=O)\C=C\C1=CC=CC=C1)CCC=C(C)C
formula
C19H26O2
inchi
InChI=1S/C19H26O2/c1-16(2)8-7-9-17(3)14-15-21-19(20)13-12-18-10-5-4-6-11-18/h4-6,8,10-13,17H,7,9,14-15H2,1-3H3/b13-12+
inchikey
KMXKQELDKDGFRN-OUKQBFOZSA-N
polar_surface_area
26.3
refractivity
90.05
polarizability
34.98
rotatable_bond_count
9
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
20895
Specdb::CMs
164132
Specdb::MsMs
91098
Specdb::MsMs
91099
Specdb::MsMs
91100
Specdb::MsMs
154416
Specdb::MsMs
154417
Specdb::MsMs
154418
Specdb::MsMs
2773439
Specdb::MsMs
2773440
Specdb::MsMs
2773441
Specdb::MsMs
2905398
Specdb::MsMs
2905399
Specdb::MsMs
2905400
HMDB38957
#<Reference:0x0000555673fe1090>
mellow
palmarosa
red rose
sweet