1.0
2010-04-08 22:15:46 UTC
2015-07-21 06:53:58 UTC
FDB021553
p-Tolyl phenylacetate
Flavouring ingredient
4-Methylphenyl benzeneacetate
4-Methylphenyl phenylacetate
Acetic acid, phenyl-, p-tolyl ester
Acetic acid, phenyl-, p-tolyl ester (6CI,7CI,8CI)
Benzeneacetic acid, 4-methylphenyl ester
Cresyl alpha-toluate, p-
Cresyl phenylacetate, p-
FEMA 3077
Methylphenyl alpha-toluate, p-
Methylphenyl phenylacetate, p-
P-cresyl α-toluate
P-Cresyl alpha -toluate
P-Cresyl alpha-toluate
P-cresyl phenylacetate
P-Methylphenyl alpha-toluate
P-Methylphenyl phenylacetate
P-tolyl α-toluate
P-Tolyl alpha -toluate
P-Tolyl alpha-toluate
p-Tolyl phenylacetate
Phenylacetic acid p-cresyl ester
Phenylacetic acid, p-tolyl ester
Tolyl alpha-toluate, p-
C15H14O2
226.275
226.099379691
4-methylphenyl 2-phenylacetate
4-methylphenyl phenylacetate
101-94-0
CC1=CC=C(OC(=O)CC2=CC=CC=C2)C=C1
InChI=1S/C15H14O2/c1-12-7-9-14(10-8-12)17-15(16)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
OJEQSSJFSNLMLB-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
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Phenoxy compounds
Toluenes
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
Phenol ester
Phenoxy compound
Toluene
logp
3.87
logs
-4.56
solubility
6.26e-03 g/l
melting_point
Mp 76° (EtOH)
logp
3.93
pka_strongest_basic
-7.2
iupac
4-methylphenyl 2-phenylacetate
average_mass
226.275
mono_mass
226.099379691
smiles
CC1=CC=C(OC(=O)CC2=CC=CC=C2)C=C1
formula
C15H14O2
inchi
InChI=1S/C15H14O2/c1-12-7-9-14(10-8-12)17-15(16)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
inchikey
OJEQSSJFSNLMLB-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
66.95
polarizability
25.27
rotatable_bond_count
4
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
17220
Specdb::CMs
29153
Specdb::CMs
102213
Specdb::CMs
166247
Specdb::MsMs
69609
Specdb::MsMs
69610
Specdb::MsMs
69611
Specdb::MsMs
127929
Specdb::MsMs
127930
Specdb::MsMs
127931
Specdb::MsMs
2428978
Specdb::MsMs
2428979
Specdb::MsMs
2428980
Specdb::MsMs
2507299
Specdb::MsMs
2507300
Specdb::MsMs
2507301
HMDB41564
#<Reference:0x00005556739280a0>
animal
honey
hyacinth
lily
narcissus
rose