1.0 2010-04-08 22:05:44 UTC 2019-11-26 02:58:48 UTC FDB003280 Phenylmethyl 2-methylpropanoate Present in Scotch spearmint oil, beer, hybrid passion fruit and cherimoya. Flavouring agent. Phenylmethyl 2-methylpropanoate is found in spearmint, alcoholic beverages, and fruits. Benzyl 2-methyl propionate Benzyl 2-methylpropanoate Benzyl 2-methylpropionate Benzyl isobutanoate Benzyl isobutyrate Benzylester kyseliny isomaselne FEMA 2141 Isobutyric acid, benzyl ester Phenylmethyl 2-methylpropanoate Propanoic acid, 2-methyl-, phenylmethyl ester C11H14O2 178.2277 178.099379692 benzyl 2-methylpropanoate benzyl 2-methylpropanoate 103-28-6 CC(C)C(=O)OCC1=CC=CC=C1 InChI=1S/C11H14O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 UIKJRDSCEYGECG-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 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 Liquid logp 2.98 ALOGPS logs -3.02 ALOGPS solubility 1.69e-01 g/l ALOGPS logp 2.89 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac benzyl 2-methylpropanoate ChemAxon average_mass 178.2277 ChemAxon mono_mass 178.099379692 ChemAxon smiles CC(C)C(=O)OCC1=CC=CC=C1 ChemAxon formula C11H14O2 ChemAxon inchi InChI=1S/C11H14O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 ChemAxon inchikey UIKJRDSCEYGECG-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 51.23 ChemAxon polarizability 20.08 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20091 Specdb::CMs 28678 Specdb::CMs 100688 Specdb::CMs 136488 Specdb::CMs 144222 Specdb::MsMs 44676 Specdb::MsMs 44677 Specdb::MsMs 44678 Specdb::MsMs 116091 Specdb::MsMs 116092 Specdb::MsMs 116093 Specdb::MsMs 2809388 Specdb::MsMs 2809389 Specdb::MsMs 2809390 Specdb::MsMs 2898993 Specdb::MsMs 2898994 Specdb::MsMs 2898995 Specdb::MsIr 4261 Specdb::MsIr 4262 HMDB31250 #<Reference:0x000055ce307e2468> Alcoholic beverages Unknown generic Fruits Unknown generic Spearmint Type 1 specific Mentha spicata 29719 fruity jasmin jasmine oily rose sweet tropical Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.