1.0
2010-04-08 22:12:40 UTC
2015-07-20 23:33:10 UTC
FDB016835
Cinnamyl phenylacetate
Flavouring ingredient
(2E)-3-Phenyl-2-propenyl phenylacetate
3-Phenyl-2-propen-1-yl phenylacetate
3-Phenyl-2-propenyl benzeneacetate
3-Phenylallyl phenylacetate
Acetic acid, phenyl-, cinnamyl ester
Benzeneacetic acid, 3-phenyl-2-propenyl ester
Benzeneacetic acid, 3-phenyl-2-propyl ester
cinnamyl 2-phenylacetate
Cinnamyl alpha-toluate
Cinnamyl phenylacetate
FEMA 2300
C17H16O2
252.3077
252.115029756
(2Z)-3-phenylprop-2-en-1-yl 2-phenylacetate
(2Z)-3-phenylprop-2-en-1-yl 2-phenylacetate
7492-65-1
O=C(CC1=CC=CC=C1)OC\C=C/C1=CC=CC=C1
InChI=1S/C17H16O2/c18-17(14-16-10-5-2-6-11-16)19-13-7-12-15-8-3-1-4-9-15/h1-12H,13-14H2/b12-7-
SFXQCOMMEMBETJ-GHXNOFRVSA-N
belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
Styrenes
Organic compounds
Benzenoids
Benzene and substituted derivatives
Styrenes
Aromatic homomonocyclic compounds
Carbonyl compounds
Carboxylic acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Aromatic homomonocyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
Styrene
logp
4.25
logs
-5.09
solubility
2.07e-03 g/l
logp
4.09
pka_strongest_basic
-7.1
iupac
(2Z)-3-phenylprop-2-en-1-yl 2-phenylacetate
average_mass
252.3077
mono_mass
252.115029756
smiles
O=C(CC1=CC=CC=C1)OC\C=C/C1=CC=CC=C1
formula
C17H16O2
inchi
InChI=1S/C17H16O2/c18-17(14-16-10-5-2-6-11-16)19-13-7-12-15-8-3-1-4-9-15/h1-12H,13-14H2/b12-7-
inchikey
SFXQCOMMEMBETJ-GHXNOFRVSA-N
polar_surface_area
26.3
refractivity
77.07
polarizability
28.41
rotatable_bond_count
6
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
17741
Specdb::CMs
164640
Specdb::MsMs
305284
Specdb::MsMs
305285
Specdb::MsMs
305286
Specdb::MsMs
348664
Specdb::MsMs
348665
Specdb::MsMs
348666
Specdb::MsMs
2814311
Specdb::MsMs
2814312
Specdb::MsMs
2814313
Specdb::MsMs
2890774
Specdb::MsMs
2890775
Specdb::MsMs
2890776
HMDB37707
balsam
chrysanthemum
spicy
tolu