1.0
2010-04-08 22:15:33 UTC
2018-05-29 01:50:12 UTC
FDB021234
Cinnamyl propionate
It is used in fruit food flavouring
(2E)-3-Phenyl-2-propenyl propionate
2-Propen-1-ol, 3-phenyl-, 1-propanoate
2-Propen-1-ol, 3-phenyl-, propanoate
3-Phenyl-2-propen-1-ol propanoate
3-Phenyl-2-propen-1-yl propionate
3-Phenyl-2-propenyl propanoate
3-Phenyl-2-propenyl propionate
3-Phenylallyl propionate
Cinnamyl alcohol, propionate
Cinnamyl n-propionate
Cinnamyl propionate
FEMA 2301
Gamma-phenylallyl propionate
Propionic acid, cinnamyl ester
Trans-cinnamyl propionate
C12H14O2
190.2384
190.099379692
(2Z)-3-phenylprop-2-en-1-yl propanoate
(2Z)-3-phenylprop-2-en-1-yl propanoate
103-56-0
CCC(=O)OC\C=C/C1=CC=CC=C1
InChI=1S/C12H14O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-9H,2,10H2,1H3/b9-6-
KGDJMNKPBUNHGY-TWGQIWQCSA-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
3.36
logs
-3.38
solubility
7.93e-02 g/l
logp
2.96
pka_strongest_basic
-7
iupac
(2Z)-3-phenylprop-2-en-1-yl propanoate
average_mass
190.2384
mono_mass
190.099379692
smiles
CCC(=O)OC\C=C/C1=CC=CC=C1
formula
C12H14O2
inchi
InChI=1S/C12H14O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-9H,2,10H2,1H3/b9-6-
inchikey
KGDJMNKPBUNHGY-TWGQIWQCSA-N
polar_surface_area
26.3
refractivity
56.97
polarizability
21.61
rotatable_bond_count
5
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsIr
9189
Specdb::MsIr
9190
Specdb::CMs
11363
Specdb::CMs
154187
Specdb::MsMs
291088
Specdb::MsMs
291089
Specdb::MsMs
291090
Specdb::MsMs
330904
Specdb::MsMs
330905
Specdb::MsMs
330906
Specdb::MsMs
2438383
Specdb::MsMs
2438384
Specdb::MsMs
2438385
Specdb::MsMs
2523444
Specdb::MsMs
2523445
Specdb::MsMs
2523446
HMDB41315
#<Reference:0x00005556763ca5d8>
balsam
fruity
grape
spicy
sweet