1.0
2010-04-08 22:14:49 UTC
2015-07-21 06:42:50 UTC
FDB020143
Ethyl 3-phenylpropanoate
Flavouring ingredient
Benzenepropanoic acid, ethyl ester
Ethyl 3-phenylpropanoate
Ethyl 3-phenylpropionate
Ethyl 3-phenylproprionate
Ethyl benzenepropanoate
Ethyl dihydrocinnamate
Ethyl hydrocinnamate
Ethylhydrocinnamoate
Ethylphenyl propanoate
FEMA 2455
Hydrocinnamic acid, ethyl ester
Hydrocinnamic acid, ethyl ester (8ci)
Vanilglycolic acid
C11H14O2
178.2277
178.099379692
ethyl 3-phenylpropanoate
ethyl B-phenylpropionate
2021-28-5
CCOC(=O)CCC1=CC=CC=C1
InChI=1S/C11H14O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
JAGZUIGGHGTFHO-UHFFFAOYSA-N
belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
Fatty acid esters
Organic compounds
Lipids and lipid-like molecules
Fatty Acyls
Fatty acid esters
Aromatic homomonocyclic compounds
Benzene and substituted derivatives
Carbonyl compounds
Carboxylic acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Aromatic homomonocyclic compound
Benzenoid
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Fatty acid ester
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Monocyclic benzene moiety
Organic oxide
Organic oxygen compound
Organooxygen compound
logp
2.79
logs
-3.21
solubility
1.10e-01 g/l
logp
2.56
pka_strongest_basic
-7
iupac
ethyl 3-phenylpropanoate
average_mass
178.2277
mono_mass
178.099379692
smiles
CCOC(=O)CCC1=CC=CC=C1
formula
C11H14O2
inchi
InChI=1S/C11H14O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
inchikey
JAGZUIGGHGTFHO-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
51.48
polarizability
20.23
rotatable_bond_count
5
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
11574
Specdb::CMs
172045
Specdb::MsIr
8945
Specdb::MsIr
8946
Specdb::NmrOneD
4463
Specdb::NmrOneD
4587
Specdb::MsMs
79503
Specdb::MsMs
79504
Specdb::MsMs
79505
Specdb::MsMs
140127
Specdb::MsMs
140128
Specdb::MsMs
140129
Specdb::MsMs
2432038
Specdb::MsMs
2432039
Specdb::MsMs
2432040
Specdb::MsMs
2503598
Specdb::MsMs
2503599
Specdb::MsMs
2503600
HMDB40411
#<Reference:0x00005556742eb240>
Red wine
Type 2
1.206205
2.41
0.00241
mg/100 g
flower
fruity
honey
hyacinth
rose
rum