1.0
2010-04-08 22:11:38 UTC
2015-07-20 23:14:23 UTC
FDB015065
alpha-Amylcinnamyl acetate
Flavouring ingredient
(2Z)-2-Pentyl-3-phenyl-2-propenyl acetate
α-amylcinnamyl acetate
α-n-amyl cinnamyl acetate
α-n-amyl-β-phenylacryl acetate
α-pentyl cinnamyl acetate
1-Heptanol, 2-(phenylmethylene)-, 1-acetate
1-Heptanol, 2-(phenylmethylene)-, acetate
1-Heptanol, 2-benzylidene-, acetate
1-Heptanol, 2-benzylidene-, acetate (8CI)
2-(Phenylmethylene)-1-heptanol acetate
2-(Phenylmethylene)-1-heptyl acetate
2-(Phenylmethylene)heptyl acetate
2-Benzylidene-1-heptanol acetate
2-Benzylidene-1-heptyl acetate
a-Amylcinnamyl acetate
Alpha-amyl-beta-phenylacryl acetate
Alpha-amylcinnamyl acetate
alpha-N-Amyl cinnamyl acetate
Alpha-n-amyl-beta-phenylacryl acetate
Alpha-pentyl cinnamyl acetate
Alpha-pentylcinnamyl acetate
Amyl cinnamic acetate
Cinnamyl alcohol, α-pentyl-, acetate
Cinnamyl alcohol, alpha-pentyl-, acetate
FEMA 2064
C16H22O2
246.3447
246.161979948
(2Z)-2-(phenylmethylidene)heptyl acetate
(2Z)-2-(phenylmethylidene)heptyl acetate
7493-78-9
CCCCC\C(COC(C)=O)=C\C1=CC=CC=C1
InChI=1S/C16H22O2/c1-3-4-6-11-16(13-18-14(2)17)12-15-9-7-5-8-10-15/h5,7-10,12H,3-4,6,11,13H2,1-2H3/b16-12-
CMJSVJIGLBDCME-VBKFSLOCSA-N
belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
Benzene and substituted derivatives
Organic compounds
Benzenoids
Benzene and substituted derivatives
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
Monocyclic benzene moiety
Organic oxide
Organic oxygen compound
Organooxygen compound
logp
4.94
ALOGPS
logs
-4.95
ALOGPS
solubility
2.79e-03 g/l
ALOGPS
logp
4.28
ChemAxon
pka_strongest_basic
-7
ChemAxon
iupac
(2Z)-2-(phenylmethylidene)heptyl acetate
ChemAxon
average_mass
246.3447
ChemAxon
mono_mass
246.161979948
ChemAxon
smiles
CCCCC\C(COC(C)=O)=C\C1=CC=CC=C1
ChemAxon
formula
C16H22O2
ChemAxon
inchi
InChI=1S/C16H22O2/c1-3-4-6-11-16(13-18-14(2)17)12-15-9-7-5-8-10-15/h5,7-10,12H,3-4,6,11,13H2,1-2H3/b16-12-
ChemAxon
inchikey
CMJSVJIGLBDCME-VBKFSLOCSA-N
ChemAxon
polar_surface_area
26.3
ChemAxon
refractivity
75.03
ChemAxon
polarizability
29.54
ChemAxon
rotatable_bond_count
8
ChemAxon
acceptor_count
1
ChemAxon
donor_count
0
ChemAxon
physiological_charge
0
ChemAxon
formal_charge
0
ChemAxon
Specdb::CMs
24033
Specdb::CMs
173613
Specdb::MsMs
107931
Specdb::MsMs
107932
Specdb::MsMs
107933
Specdb::MsMs
175032
Specdb::MsMs
175033
Specdb::MsMs
175034
Specdb::MsMs
2839491
Specdb::MsMs
2839492
Specdb::MsMs
2839493
Specdb::MsMs
2868906
Specdb::MsMs
2868907
Specdb::MsMs
2868908
HMDB36207
#<Reference:0x0000561273332580>
balsam
chocolate
cinnamyl
floral
fruity
jasmin
leather
spicy