1.0
2010-04-08 22:12:40 UTC
2015-07-20 23:33:10 UTC
FDB016834
Cyclohexyl cinnamate
Flavouring ingredient
2-Butenoic acid,3-phenyl, cyclohexyl ester
2-Propenoic acid, 3-phenyl-, cyclohexyl ester
Cinnamic acid, cyclohexyl ester
Cyclohexyl (2E)-3-phenyl-2-propenoate
Cyclohexyl cinnamate
FEMA 2352
C15H18O2
230.3022
230.13067982
cyclohexyl (2Z)-3-phenylprop-2-enoate
cyclohexyl (2Z)-3-phenylprop-2-enoate
7779-17-1
O=C(OC1CCCCC1)\C=C/C1=CC=CC=C1
InChI=1S/C15H18O2/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2/b12-11-
GCFAUZGWPDYAJN-QXMHVHEDSA-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
4.31
logs
-4.91
solubility
2.80e-03 g/l
melting_point
Mp 28°
logp
4.31
pka_strongest_basic
-6.8
iupac
cyclohexyl (2Z)-3-phenylprop-2-enoate
average_mass
230.3022
mono_mass
230.13067982
smiles
O=C(OC1CCCCC1)\C=C/C1=CC=CC=C1
formula
C15H18O2
inchi
InChI=1S/C15H18O2/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2/b12-11-
inchikey
GCFAUZGWPDYAJN-QXMHVHEDSA-N
polar_surface_area
26.3
refractivity
68.84
polarizability
26.35
rotatable_bond_count
4
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
16444
Specdb::CMs
171880
Specdb::MsMs
302350
Specdb::MsMs
302351
Specdb::MsMs
302352
Specdb::MsMs
345058
Specdb::MsMs
345059
Specdb::MsMs
345060
Specdb::MsMs
2321449
Specdb::MsMs
2321450
Specdb::MsMs
2321451
Specdb::MsMs
2614608
Specdb::MsMs
2614609
Specdb::MsMs
2614610
HMDB37706
almond
cherry
fruity
peach