1.0
2010-04-08 22:11:37 UTC
2015-07-20 23:14:19 UTC
FDB015063
alpha-Amylcinnamyl isovalerate
Flavouring ingredient
2-(Phenylmethylene)heptyl 3-methylbutanoate
2-Benzylidene-1-heptyl isovalerate
2-Benzylideneheptyl isovalerate
a-Amylcinnamyl isovalerate
alpha-Amyl-beta-phenylacryl 3-methylbutanoate
Alpha-amylcinnamyl isovalerate
Alpha-amylcinnamyl isovalerianate
Alpha-pentylcinnamyl isovalerate
Butanoic acid, 3-methyl-, 2-(phenylmethylene)heptyl ester
FEMA 2067
Isovaleric acid, beta-pentylcinnamyl ester
C19H28O2
288.4244
288.20893014
(2Z)-2-(phenylmethylidene)heptyl 3-methylbutanoate
(2Z)-2-(phenylmethylidene)heptyl 3-methylbutanoate
7493-80-3
CCCCC\C(COC(=O)CC(C)C)=C\C1=CC=CC=C1
InChI=1S/C19H28O2/c1-4-5-7-12-18(14-17-10-8-6-9-11-17)15-21-19(20)13-16(2)3/h6,8-11,14,16H,4-5,7,12-13,15H2,1-3H3/b18-14-
RNKTVAMGERKTEZ-JXAWBTAJSA-N
belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
Fatty acid esters
Organic compounds
Lipids and lipid-like molecules
Fatty Acyls
Fatty acid esters
Aromatic homomonocyclic compounds
Benzene and substituted derivatives
Carbonyl compounds
Carboxylic acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Aromatic homomonocyclic compound
Benzenoid
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Fatty acid ester
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Monocyclic benzene moiety
Organic oxide
Organic oxygen compound
Organooxygen compound
logp
5.87
logs
-5.46
solubility
9.92e-04 g/l
logp
5.71
pka_strongest_basic
-7
iupac
(2Z)-2-(phenylmethylidene)heptyl 3-methylbutanoate
average_mass
288.4244
mono_mass
288.20893014
smiles
CCCCC\C(COC(=O)CC(C)C)=C\C1=CC=CC=C1
formula
C19H28O2
inchi
InChI=1S/C19H28O2/c1-4-5-7-12-18(14-17-10-8-6-9-11-17)15-21-19(20)13-16(2)3/h6,8-11,14,16H,4-5,7,12-13,15H2,1-3H3/b18-14-
inchikey
RNKTVAMGERKTEZ-JXAWBTAJSA-N
polar_surface_area
26.3
refractivity
88.81
polarizability
35.43
rotatable_bond_count
10
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
20260
Specdb::CMs
153472
Specdb::MsMs
88545
Specdb::MsMs
88546
Specdb::MsMs
88547
Specdb::MsMs
151290
Specdb::MsMs
151291
Specdb::MsMs
151292
Specdb::MsMs
2680344
Specdb::MsMs
2680345
Specdb::MsMs
2680346
Specdb::MsMs
3025533
Specdb::MsMs
3025534
Specdb::MsMs
3025535
HMDB36205
#<Reference:0x00005556750ddab0>
fruity
oily
tobacco