1.0 2010-04-08 22:12:40 UTC 2015-07-20 23:33:02 UTC FDB016825 Isobutyl N-methylanthranilate Possible flavour ingredient; reported in food additive surveys 2-Methylpropyl 2-(methylamino)benzoate 2-Methylpropyl 2-N-methylaminobenzoate Benzoic acid, 2-(methylamino)-, 2-methylpropyl ester Iso-butyl n-methyl anthranilate Isobutyl 2-(methylamino)benzoate Isobutyl 2-N-methylaminobenzoate Isobutyl N-methylanthranilate C12H17NO2 207.2689 207.125928793 2-methylpropyl 2-(methylamino)benzoate 2-methylpropyl 2-(methylamino)benzoate 65505-24-0 CNC1=CC=CC=C1C(=O)OCC(C)C InChI=1S/C12H17NO2/c1-9(2)8-15-12(14)10-6-4-5-7-11(10)13-3/h4-7,9,13H,8H2,1-3H3 WKYZGTHZBSYUFI-UHFFFAOYSA-N belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. Benzoic acid esters Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds Amino acids and derivatives Aminobenzoic acids and derivatives Aniline and substituted anilines Benzoyl derivatives Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Organopnictogen compounds Phenylalkylamines Secondary alkylarylamines Vinylogous amides Amine Amino acid or derivatives Aminobenzoic acid or derivatives Aniline or substituted anilines Aromatic homomonocyclic compound Benzoate ester Benzoyl Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylalkylamine Secondary aliphatic/aromatic amine Secondary amine Vinylogous amide logp 2.64 ALOGPS logs -2.74 ALOGPS solubility 3.77e-01 g/l ALOGPS logp 3.34 ChemAxon pka_strongest_acidic 19.58 ChemAxon pka_strongest_basic 2.14 ChemAxon iupac 2-methylpropyl 2-(methylamino)benzoate ChemAxon average_mass 207.2689 ChemAxon mono_mass 207.125928793 ChemAxon smiles CNC1=CC=CC=C1C(=O)OCC(C)C ChemAxon formula C12H17NO2 ChemAxon inchi InChI=1S/C12H17NO2/c1-9(2)8-15-12(14)10-6-4-5-7-11(10)13-3/h4-7,9,13H,8H2,1-3H3 ChemAxon inchikey WKYZGTHZBSYUFI-UHFFFAOYSA-N ChemAxon polar_surface_area 38.33 ChemAxon refractivity 62.02 ChemAxon polarizability 23.67 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7599 Specdb::MsIr 7600 Specdb::MsIr 7601 Specdb::CMs 13053 Specdb::CMs 160406 Specdb::MsMs 65421 Specdb::MsMs 65422 Specdb::MsMs 65423 Specdb::MsMs 122820 Specdb::MsMs 122821 Specdb::MsMs 122822 Specdb::MsMs 2681766 Specdb::MsMs 2681767 Specdb::MsMs 2681768 Specdb::MsMs 3026532 Specdb::MsMs 3026533 Specdb::MsMs 3026534 HMDB37697 #<Reference:0x000055ce31874fd8> fruity grapefruit