1.0 2010-04-08 22:10:49 UTC 2015-07-20 23:00:50 UTC FDB013614 2-Methylpropyl phenylacetate Flavouring ingredient 2-Methyl propyl phenyl acetate 2-Methylpropyl benzeneacetate 2-Methylpropyl phenylacetate Acetic acid, phenyl-, isobutyl ester Acetic acid, phenyl-, isobutyl ester (6CI,8CI) Benzeneacetic acid, 2-methylpropyl ester Eglantine FEMA 2210 Iphaneine Isobutyl &alpha;-toluate Isobutyl alpha-toluate Isobutyl phenylacetate Isobutyl phenylethanoate Phenylacetic acid, 2-methylpropyl ester Phenylacetic acid, isobutyl ester Phenysol Succinanilic acid C12H16O2 192.2542 192.115029756 2-methylpropyl 2-phenylacetate 2-methylpropyl 2-phenylacetate 102-13-6 CC(C)COC(=O)CC1=CC=CC=C1 InChI=1S/C12H16O2/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 RJASFPFZACBKBE-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 3.31 ALOGPS logs -3.52 ALOGPS solubility 5.79e-02 g/l ALOGPS logp 3 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 2-methylpropyl 2-phenylacetate ChemAxon average_mass 192.2542 ChemAxon mono_mass 192.115029756 ChemAxon smiles CC(C)COC(=O)CC1=CC=CC=C1 ChemAxon formula C12H16O2 ChemAxon inchi InChI=1S/C12H16O2/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 ChemAxon inchikey RJASFPFZACBKBE-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 55.88 ChemAxon polarizability 21.85 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16800 Specdb::CMs 27864 Specdb::CMs 27894 Specdb::CMs 28201 Specdb::CMs 29134 Specdb::CMs 29308 Specdb::CMs 101677 Specdb::CMs 101678 Specdb::CMs 101679 Specdb::CMs 101680 Specdb::CMs 101681 Specdb::CMs 160549 Specdb::MsIr 6770 Specdb::MsIr 6771 Specdb::MsMs 93219 Specdb::MsMs 93220 Specdb::MsMs 93221 Specdb::MsMs 156954 Specdb::MsMs 156955 Specdb::MsMs 156956 Specdb::MsMs 2792762 Specdb::MsMs 2792763 Specdb::MsMs 2792764 Specdb::MsMs 2916053 Specdb::MsMs 2916054 Specdb::MsMs 2916055 HMDB35010 #<Reference:0x000055ce328b13d8> amber chocolate floral honey sweet