1.0 2010-04-08 22:12:37 UTC 2015-07-20 23:32:07 UTC FDB016737 1-Methyl-1-phenylethyl isobutyrate Flavouring ingredient 1-Methyl-1-phenylethyl 2-methylpropanoate 1-Methyl-1-phenylethyl isobutyrate 2-phenylpropan-2-yl 2-methylpropanoate 2-Phenylpropan-2-yl isobutyrate a,a-Dimethylbenzyl isobutyrate alpha,alpha-Dimethylbenzyl 2-methylpropanoate Alpha,alpha-dimethylbenzyl isobutyrate FEMA 2388 Isobutyric acid, alpha,alpha-dimethylbenzyl ester Phenyl dimethyl carbinyl isobutyrate Propanoic acid, 2-methyl-, 1-methyl-1-phenylethyl ester C13H18O2 206.2808 206.13067982 2-phenylpropan-2-yl 2-methylpropanoate 2-phenylpropan-2-yl 2-methylpropanoate 7774-60-9 CC(C)C(=O)OC(C)(C)C1=CC=CC=C1 InChI=1S/C13H18O2/c1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11/h5-10H,1-4H3 LQOHUFIIIKBPQC-UHFFFAOYSA-N belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. Benzyloxycarbonyls Organic compounds Benzenoids Benzene and substituted derivatives Benzyloxycarbonyls Aromatic homomonocyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Phenylpropanes Aromatic homomonocyclic compound Benzyloxycarbonyl Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Phenylpropane logp 4.06 ALOGPS logs -3.81 ALOGPS solubility 3.17e-02 g/l ALOGPS logp 3.59 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 2-phenylpropan-2-yl 2-methylpropanoate ChemAxon average_mass 206.2808 ChemAxon mono_mass 206.13067982 ChemAxon smiles CC(C)C(=O)OC(C)(C)C1=CC=CC=C1 ChemAxon formula C13H18O2 ChemAxon inchi InChI=1S/C13H18O2/c1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11/h5-10H,1-4H3 ChemAxon inchikey LQOHUFIIIKBPQC-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 60.28 ChemAxon polarizability 23.36 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17850 Specdb::CMs 28682 Specdb::CMs 101876 Specdb::CMs 133457 Specdb::CMs 141191 Specdb::MsIr 7563 Specdb::MsIr 7564 Specdb::MsMs 62964 Specdb::MsMs 62965 Specdb::MsMs 62966 Specdb::MsMs 119811 Specdb::MsMs 119812 Specdb::MsMs 119813 Specdb::MsMs 2799601 Specdb::MsMs 2799602 Specdb::MsMs 2799603 Specdb::MsMs 2882444 Specdb::MsMs 2882445 Specdb::MsMs 2882446 HMDB37623 #<Reference:0x000055ce331b0df8> apricot dry fruity green peach plum sweet