1.0
2010-04-08 22:12:41 UTC
2015-07-20 23:33:14 UTC
FDB016839
4-Methylphenyl dodecanoate
Flavouring ingredient with a mild, floral, sweet odour and taste
4-Methylphenyl dodecanoate
Cresyl dodecanoate, p-
Cresyl laurate, p-
Dodecanoic acid, 4-methylphenyl ester
FEMA 3076
Lauric acid, p-tolyl ester
Methylphenyl dodecanoate, p-
p-Tolyl laurate
Tolyl dodecanoate, p-
Tolyl laurate, p-
C19H30O2
290.4403
290.224580204
4-methylphenyl dodecanoate
4-methylphenyl dodecanoate
10024-57-4
CCCCCCCCCCCC(=O)OC1=CC=C(C)C=C1
InChI=1S/C19H30O2/c1-3-4-5-6-7-8-9-10-11-12-19(20)21-18-15-13-17(2)14-16-18/h13-16H,3-12H2,1-2H3
GRSHNQARIXQRDQ-UHFFFAOYSA-N
belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
Phenol esters
Organic compounds
Benzenoids
Phenol esters
Aromatic homomonocyclic compounds
Carbonyl compounds
Carboxylic acid esters
Fatty acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Phenoxy compounds
Toluenes
Aromatic homomonocyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Fatty acid ester
Fatty acyl
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Monocyclic benzene moiety
Organic oxide
Organic oxygen compound
Organooxygen compound
Phenol ester
Phenoxy compound
Toluene
logp
7.02
logs
-6.57
solubility
7.82e-05 g/l
logp
6.8
pka_strongest_basic
-7.2
iupac
4-methylphenyl dodecanoate
average_mass
290.4403
mono_mass
290.224580204
smiles
CCCCCCCCCCCC(=O)OC1=CC=C(C)C=C1
formula
C19H30O2
inchi
InChI=1S/C19H30O2/c1-3-4-5-6-7-8-9-10-11-12-19(20)21-18-15-13-17(2)14-16-18/h13-16H,3-12H2,1-2H3
inchikey
GRSHNQARIXQRDQ-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
88.27
polarizability
36.93
rotatable_bond_count
12
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
26275
Specdb::CMs
152905
Specdb::MsMs
96654
Specdb::MsMs
96655
Specdb::MsMs
96656
Specdb::MsMs
161202
Specdb::MsMs
161203
Specdb::MsMs
161204
Specdb::MsMs
2793032
Specdb::MsMs
2793033
Specdb::MsMs
2793034
Specdb::MsMs
2916257
Specdb::MsMs
2916258
Specdb::MsMs
2916259
HMDB37711
floral
nutty
sweet
vanilla