1.0
2010-04-08 22:10:49 UTC
2018-05-29 01:06:35 UTC
FDB013623
2-Phenylethyl 3-phenyl-2-propenoate
Food flavour. Isolated from the buds of Populus balsamifera (balsam poplar)
β-phenethyl cinnamate
β-phenylethyl cinnamate
2-Phenylethyl (2E)-3-phenyl-2-propenoate
2-Phenylethyl 3-phenyl-2-propenoate
2-Phenylethyl cinnamate
2-Propenoic acid, 3-phenyl-, 2-phenylethyl ester
Benzylcarbinyl cinnamate
beta -Phenethyl cinnamate
beta -Phenylethyl cinnamate
Beta-phenylethyl cinnamate
Cinnamic acid, phenethyl ester
Cinnamic acid, phenylethyl ester
FEMA 2863
Phenethyl cinnamate
Phenethyl cinnamic acid
Phenylethyl cinnamate
C17H16O2
252.3077
252.115029756
2-phenylethyl (2E)-3-phenylprop-2-enoate
2-phenylethyl (2E)-3-phenylprop-2-enoate
103-53-7
O=C(OCCC1=CC=CC=C1)\C=C\C1=CC=CC=C1
InChI=1S/C17H16O2/c18-17(12-11-15-7-3-1-4-8-15)19-14-13-16-9-5-2-6-10-16/h1-12H,13-14H2/b12-11+
MJQVZIANGRDJBT-VAWYXSNFSA-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
logp
4.25
ALOGPS
logs
-5.22
ALOGPS
solubility
1.52e-03 g/l
ALOGPS
melting_point
Mp 57-59°
logp
4.53
ChemAxon
pka_strongest_basic
-6.8
ChemAxon
iupac
2-phenylethyl (2E)-3-phenylprop-2-enoate
ChemAxon
average_mass
252.3077
ChemAxon
mono_mass
252.115029756
ChemAxon
smiles
O=C(OCCC1=CC=CC=C1)\C=C\C1=CC=CC=C1
ChemAxon
formula
C17H16O2
ChemAxon
inchi
InChI=1S/C17H16O2/c18-17(12-11-15-7-3-1-4-8-15)19-14-13-16-9-5-2-6-10-16/h1-12H,13-14H2/b12-11+
ChemAxon
inchikey
MJQVZIANGRDJBT-VAWYXSNFSA-N
ChemAxon
polar_surface_area
26.3
ChemAxon
refractivity
77.2
ChemAxon
polarizability
28.76
ChemAxon
rotatable_bond_count
6
ChemAxon
acceptor_count
1
ChemAxon
donor_count
0
ChemAxon
physiological_charge
0
ChemAxon
formal_charge
0
ChemAxon
Specdb::CMs
20094
Specdb::CMs
29549
Specdb::CMs
101687
Specdb::CMs
131401
Specdb::CMs
139135
Specdb::MsMs
310771
Specdb::MsMs
310772
Specdb::MsMs
310773
Specdb::MsMs
355606
Specdb::MsMs
355607
Specdb::MsMs
355608
Specdb::MsMs
2673982
Specdb::MsMs
2673983
Specdb::MsMs
2673984
Specdb::MsMs
3032027
Specdb::MsMs
3032028
Specdb::MsMs
3032029
HMDB35018
#<Reference:0x000055ce30bb3c18>
balsam
foliage
heavy
rich
rose