1.0 2010-04-08 22:12:40 UTC 2025-11-19 01:50:16 UTC FDB016837 4-Methylphenyl 3-methylbutanoate Flavouring ingredient 4-Methylphenyl 3-methylbutanoate Butanoic acid, 3-methyl-, 4-methylphenyl ester Cresyl 3-methylbutanoate, p- Cresyl isovalerate, p- FEMA 3387 Isovaleric acid p-tolyl ester Methylphenyl 3-methylbutyrate, p- P-cresyl isovalerate p-tolyl 3-methylbutyrate p-Tolyl isovalerate p-Tolyl-3-methylbutyrate Tolyl 3-methylbutyrate, p- Tolyl isovalerate, p- C12H16O2 192.2542 192.115029756 4-methylphenyl 3-methylbutanoate 4-methylphenyl 3-methylbutanoate 55066-56-3 CC(C)CC(=O)OC1=CC=C(C)C=C1 InChI=1S/C12H16O2/c1-9(2)8-12(13)14-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3 MVDPTWHTUYDLTL-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 3.19 ALOGPS logs -3.72 ALOGPS solubility 3.66e-02 g/l ALOGPS logp 3.53 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac 4-methylphenyl 3-methylbutanoate ChemAxon average_mass 192.2542 ChemAxon mono_mass 192.115029756 ChemAxon smiles CC(C)CC(=O)OC1=CC=C(C)C=C1 ChemAxon formula C12H16O2 ChemAxon inchi InChI=1S/C12H16O2/c1-9(2)8-12(13)14-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3 ChemAxon inchikey MVDPTWHTUYDLTL-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 56.01 ChemAxon polarizability 21.86 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10381 Specdb::CMs 28621 Specdb::CMs 101883 Specdb::CMs 163170 Specdb::MsMs 68040 Specdb::MsMs 68041 Specdb::MsMs 68042 Specdb::MsMs 125988 Specdb::MsMs 125989 Specdb::MsMs 125990 Specdb::MsMs 2447160 Specdb::MsMs 2447161 Specdb::MsMs 2447162 Specdb::MsMs 2518503 Specdb::MsMs 2518504 Specdb::MsMs 2518505 Specdb::MsIr 7615 Specdb::MsIr 7616 HMDB37709 animal herbal sweet tobacco