1.0
2010-04-08 22:12:40 UTC
2015-07-20 23:33:05 UTC
FDB016829
Isopropyl cinnamate
Flavouring ingredient
1-Methylethyl 3-phenylpropenoate
Cinnamic acid, isopropyl ester
FEMA 2939
Isopropyl (2E)-3-phenyl-2-propenoate
Isopropyl 3-phenylpropenoate
Isopropyl cinnamate
Isopropylester kyseliny skoricove
C12H14O2
190.2384
190.099379692
propan-2-yl (2Z)-3-phenylprop-2-enoate
isopropyl (2Z)-3-phenylprop-2-enoate
7780-06-5
CC(C)OC(=O)\C=C/C1=CC=CC=C1
InChI=1S/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8-
RGACABDFLVLVCT-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
logp
3.38
logs
-3.44
solubility
6.88e-02 g/l
logp
3.29
pka_strongest_basic
-6.8
iupac
propan-2-yl (2Z)-3-phenylprop-2-enoate
average_mass
190.2384
mono_mass
190.099379692
smiles
CC(C)OC(=O)\C=C/C1=CC=CC=C1
formula
C12H14O2
inchi
InChI=1S/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8-
inchikey
RGACABDFLVLVCT-HJWRWDBZSA-N
polar_surface_area
26.3
refractivity
57
polarizability
21.16
rotatable_bond_count
4
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
24677
Specdb::CMs
148558
Specdb::MsIr
7607
Specdb::MsIr
7608
Specdb::MsMs
320641
Specdb::MsMs
320642
Specdb::MsMs
320643
Specdb::MsMs
368062
Specdb::MsMs
368063
Specdb::MsMs
368064
Specdb::MsMs
2328210
Specdb::MsMs
2328211
Specdb::MsMs
2328212
Specdb::MsMs
2634907
Specdb::MsMs
2634908
Specdb::MsMs
2634909
HMDB37701
#<Reference:0x0000555676195a60>
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