1.0
2010-04-08 22:12:40 UTC
2015-07-20 23:33:04 UTC
FDB016828
Propyl cinnamate
Flavouring ingredient
2-Propenoic acid, 3-phenyl-, propyl ester
2-Propenoic acid, 3-phenyl-, propyl ester, (2E)-
3-Phenyl-propyl ester(2e)-2-propenoic acid
Cinnamic acid, propyl ester
FEMA 2938
N-propyl cinnamate
Propyl 3-phenyl-2-propenoate
Propyl 3-phenylpropenoate
Propyl beta-phenylacrylate
Propyl cinnamate
Propylester kyseliny skoricove
C12H14O2
190.2384
190.099379692
propyl (2Z)-3-phenylprop-2-enoate
propyl (2Z)-3-phenylprop-2-enoate
7778-83-8
CCCOC(=O)\C=C/C1=CC=CC=C1
InChI=1S/C12H14O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3/b9-8-
OLLPXZHNCXACMM-HJWRWDBZSA-N
belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.
Cinnamic acid esters
Organic compounds
Phenylpropanoids and polyketides
Cinnamic acids and derivatives
Cinnamic acid esters
Aromatic homomonocyclic compounds
Carbonyl compounds
Enoate esters
Fatty acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Styrenes
Alpha,beta-unsaturated carboxylic ester
Aromatic homomonocyclic compound
Benzenoid
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Cinnamic acid ester
Enoate ester
Fatty acid ester
Fatty acyl
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Monocyclic benzene moiety
Organic oxide
Organic oxygen compound
Organooxygen compound
Styrene
Liquid
logp
3.43
logs
-3.54
solubility
5.45e-02 g/l
melting_point
Mp 13°
logp
3.39
pka_strongest_basic
-6.8
iupac
propyl (2Z)-3-phenylprop-2-enoate
average_mass
190.2384
mono_mass
190.099379692
smiles
CCCOC(=O)\C=C/C1=CC=CC=C1
formula
C12H14O2
inchi
InChI=1S/C12H14O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3/b9-8-
inchikey
OLLPXZHNCXACMM-HJWRWDBZSA-N
polar_surface_area
26.3
refractivity
57.1
polarizability
21.78
rotatable_bond_count
5
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsIr
7605
Specdb::MsIr
7606
Specdb::CMs
17001
Specdb::CMs
133425
Specdb::CMs
141159
Specdb::MsMs
303640
Specdb::MsMs
303641
Specdb::MsMs
303642
Specdb::MsMs
346624
Specdb::MsMs
346625
Specdb::MsMs
346626
Specdb::MsMs
2794400
Specdb::MsMs
2794401
Specdb::MsMs
2794402
Specdb::MsMs
2883914
Specdb::MsMs
2883915
Specdb::MsMs
2883916
HMDB37700
#<Reference:0x00007f3dbd76b770>
amber
musty
vine