1.0
2010-04-08 22:12:40 UTC
2015-07-20 23:33:06 UTC
FDB016830
Butyl cinnamate
Flavouring ingredient
2-Propenoic acid, 3-phenyl-, butyl ester
3-Phenyl-acrylic acid, butyl ester
Butyl 3-phenyl-2-propenoate
Butyl 3-phenylpropenoate
Butyl cinnamate
Butyl phenylacrylate
Butyl-beta-phenylacrylate
Cinnamate de n-butyle
Cinnamic acid butyl ester
Cinnamic acid n-butyl ester
Cinnamic acid, butyl ester
Eliminoxy
FEMA 2192
N-butyl cinnamate
N-butyl phenylacrylate
C13H16O2
204.2649
204.115029756
butyl (2Z)-3-phenylprop-2-enoate
butyl (2Z)-3-phenylprop-2-enoate
538-65-8
CCCCOC(=O)\C=C/C1=CC=CC=C1
InChI=1S/C13H16O2/c1-2-3-11-15-13(14)10-9-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3/b10-9-
OHHIVLJVBNCSHV-KTKRTIGZSA-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
3.93
logs
-4.12
solubility
1.56e-02 g/l
logp
3.84
pka_strongest_basic
-6.8
iupac
butyl (2Z)-3-phenylprop-2-enoate
average_mass
204.2649
mono_mass
204.115029756
smiles
CCCCOC(=O)\C=C/C1=CC=CC=C1
formula
C13H16O2
inchi
InChI=1S/C13H16O2/c1-2-3-11-15-13(14)10-9-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3/b10-9-
inchikey
OHHIVLJVBNCSHV-KTKRTIGZSA-N
polar_surface_area
26.3
refractivity
61.7
polarizability
23.9
rotatable_bond_count
6
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsIr
7609
Specdb::MsIr
7610
Specdb::CMs
21578
Specdb::CMs
159403
Specdb::MsMs
313981
Specdb::MsMs
313982
Specdb::MsMs
313983
Specdb::MsMs
359608
Specdb::MsMs
359609
Specdb::MsMs
359610
Specdb::MsMs
3037085
Specdb::MsMs
3037086
Specdb::MsMs
3037087
Specdb::MsMs
3106856
Specdb::MsMs
3106857
Specdb::MsMs
3106858
HMDB37702
#<Reference:0x00005556755b8a58>
balsam
cocoa
fruity
spicy
sweet