1.0 2010-04-08 22:08:56 UTC 2018-05-28 23:26:43 UTC FDB010071 4-Phenyl-2-butyl acetate It is used as a food additive . 1-Methyl-3-phenylpropyl acetate CH3C(O)OCH(CH3)CH2CH2C6H5 Phenylpropanol, &alpha;-methyl, acetate C12H16O2 192.2542 192.115029756 4-phenylbutan-2-yl acetate 4-phenylbutan-2-yl acetate 59960-25-7 CC(CCC1=CC=CC=C1)OC(C)=O InChI=1S/C12H16O2/c1-10(14-11(2)13)8-9-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3 IVEWTAOGAGBQGG-UHFFFAOYSA-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 3.33 ALOGPS logs -3.82 ALOGPS solubility 2.91e-02 g/l ALOGPS logp 2.8 ChemAxon pka_strongest_basic -7 ChemAxon iupac 4-phenylbutan-2-yl acetate ChemAxon average_mass 192.2542 ChemAxon mono_mass 192.115029756 ChemAxon smiles CC(CCC1=CC=CC=C1)OC(C)=O ChemAxon formula C12H16O2 ChemAxon inchi InChI=1S/C12H16O2/c1-10(14-11(2)13)8-9-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3 ChemAxon inchikey IVEWTAOGAGBQGG-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 55.8 ChemAxon polarizability 22.03 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22664 Specdb::CMs 130943 Specdb::CMs 138677 Specdb::MsIr 4733 Specdb::MsIr 4734 Specdb::MsMs 46926 Specdb::MsMs 46927 Specdb::MsMs 46928 Specdb::MsMs 141591 Specdb::MsMs 141592 Specdb::MsMs 141593 Specdb::MsMs 2357031 Specdb::MsMs 2357032 Specdb::MsMs 2357033 Specdb::MsMs 2608161 Specdb::MsMs 2608162 Specdb::MsMs 2608163 HMDB31614 #<Reference:0x000055ce32b06cf0>