1.0 2010-04-08 22:10:30 UTC 2015-07-20 22:55:57 UTC FDB013068 3-Acetoxy-3-methyl-1-phenylbutane Flavouring ingredient 1,1-Dimethyl-3-phenylpropan-1-yl acetate 1,1-Dimethyl-3-phenylpropyl acetate 2-Butanol, 2-methyl-4-phenyl-, acetate 2-Methyl-4-phenyl-2-butanyl acetate 2-Methyl-4-phenyl-2-butyl acetate 3-Acetoxy-3-methyl-1-phenylbutane Acetic acid, (1,1-dimethyl-3-phenylpropyl) ester Alpha,alpha-dimethylbenzenepropanol acetate Alpha,alpha-dimethylbenzenepropyl acetate Benzenepropanol, alpha,alpha-dimethyl-, 1-acetate Benzenepropanol, alpha,alpha-dimethyl-, acetate Centifolia Dimethyl phenethyl carbinyl acetate Dimethylphenethylcarbinyl acetate Dimethylphenylethylcarbinyl acetate Dmpec acetate FEMA 2735 Phenyl-tert-amyl acetate Phenylethyl dimethyl carbinyl acetate C13H18O2 206.2808 206.13067982 2-methyl-4-phenylbutan-2-yl acetate 2-methyl-4-phenylbutan-2-yl acetate 103-07-1 CC(=O)OC(C)(C)CCC1=CC=CC=C1 InChI=1S/C13H18O2/c1-11(14)15-13(2,3)10-9-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3 ZXFNOEJFYLQUSB-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 3.81 ALOGPS logs -4.20 ALOGPS solubility 1.30e-02 g/l ALOGPS logp 3.08 ChemAxon pka_strongest_basic -7 ChemAxon iupac 2-methyl-4-phenylbutan-2-yl acetate ChemAxon average_mass 206.2808 ChemAxon mono_mass 206.13067982 ChemAxon smiles CC(=O)OC(C)(C)CCC1=CC=CC=C1 ChemAxon formula C13H18O2 ChemAxon inchi InChI=1S/C13H18O2/c1-11(14)15-13(2,3)10-9-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3 ChemAxon inchikey ZXFNOEJFYLQUSB-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 60.44 ChemAxon polarizability 23.79 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6640 Specdb::MsIr 6641 Specdb::CMs 19973 Specdb::CMs 29152 Specdb::CMs 101646 Specdb::CMs 150465 Specdb::MsMs 74349 Specdb::MsMs 74350 Specdb::MsMs 74351 Specdb::MsMs 133710 Specdb::MsMs 133711 Specdb::MsMs 133712 Specdb::MsMs 2668588 Specdb::MsMs 2668589 Specdb::MsMs 2668590 Specdb::MsMs 3013346 Specdb::MsMs 3013347 Specdb::MsMs 3013348 HMDB34556 #<Reference:0x000055ce3351ab10> balsam deep green leafy narcissus rose sweet