1.0
2010-04-08 22:12:40 UTC
2015-07-20 23:33:11 UTC
FDB016836
p-Tolyl isobutyrate
Flavouring ingredient
4-Methylphenyl 2-methylpropanoate
Cresyl isobutyrate, p-
FEMA 3075
Isobutyric acid, p-tolyl ester
Methylphenyl 2-methylpropanoate, p-
P-cresyl isobutyrate
P-methylphenyl isobutyrate
p-Tolyl isobutyrate
Para-tolyl isobutyrate
Paracresyl isobutyrate
Proapnoic acid, 2-methyl-, 4-methylphenyl ester
Propanoic acid, 2-methyl-, 4-methylphenyl ester
Tolyl 2-methylpropanoate, p-
C11H14O2
178.2277
178.099379692
4-methylphenyl 2-methylpropanoate
p-tolyl isobutyrate
103-93-5
CC(C)C(=O)OC1=CC=C(C)C=C1
InChI=1S/C11H14O2/c1-8(2)11(12)13-10-6-4-9(3)5-7-10/h4-8H,1-3H3
UPPSFGGDKACIKP-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
2.84
logs
-3.25
solubility
1.01e-01 g/l
logp
3.34
pka_strongest_basic
-7.2
iupac
4-methylphenyl 2-methylpropanoate
average_mass
178.2277
mono_mass
178.099379692
smiles
CC(C)C(=O)OC1=CC=C(C)C=C1
formula
C11H14O2
inchi
InChI=1S/C11H14O2/c1-8(2)11(12)13-10-6-4-9(3)5-7-10/h4-8H,1-3H3
inchikey
UPPSFGGDKACIKP-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
51.43
polarizability
20.12
rotatable_bond_count
3
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsIr
7613
Specdb::MsIr
7614
Specdb::CMs
26509
Specdb::CMs
28679
Specdb::CMs
101882
Specdb::CMs
147671
Specdb::MsMs
95106
Specdb::MsMs
95107
Specdb::MsMs
95108
Specdb::MsMs
159291
Specdb::MsMs
159292
Specdb::MsMs
159293
Specdb::MsMs
2698890
Specdb::MsMs
2698891
Specdb::MsMs
2698892
Specdb::MsMs
2983502
Specdb::MsMs
2983503
Specdb::MsMs
2983504
HMDB37708
animal
floral
fruity
green
lily
narcissus