1.0 2010-04-08 22:11:38 UTC 2015-07-20 23:14:41 UTC FDB015082 Benzyl 2,3-dimethyl-2-butenoate Flavouring agent 2-Butenoic acid, 2,3-dimethyl-, phenylmethyl ester Benzyl 2,3-dimethyl-2-butenoate Benzyl 2,3-dimethylcrotonate Benzyl methyltiglate Crotonic acid, 2,3-dimethyl-, benzyl ester FEMA 2143 Phenylmethyl 2,3-dimethyl-2-butenoate C13H16O2 204.2649 204.115029756 benzyl 2,3-dimethylbut-2-enoate benzyl 2,3-dimethylbut-2-enoate 7492-69-5 CC(C)=C(C)C(=O)OCC1=CC=CC=C1 InChI=1S/C13H16O2/c1-10(2)11(3)13(14)15-9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3 LHDWSNQMWAZQPX-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 Enoate esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Alpha,beta-unsaturated carboxylic ester Aromatic homomonocyclic compound Benzyloxycarbonyl Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enoate ester Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 3.71 ALOGPS logs -3.16 ALOGPS solubility 1.42e-01 g/l ALOGPS logp 3.66 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac benzyl 2,3-dimethylbut-2-enoate ChemAxon average_mass 204.2649 ChemAxon mono_mass 204.115029756 ChemAxon smiles CC(C)=C(C)C(=O)OCC1=CC=CC=C1 ChemAxon formula C13H16O2 ChemAxon inchi InChI=1S/C13H16O2/c1-10(2)11(3)13(14)15-9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3 ChemAxon inchikey LHDWSNQMWAZQPX-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 60.99 ChemAxon polarizability 23.37 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19823 Specdb::CMs 146528 Specdb::MsIr 7209 Specdb::MsIr 7210 Specdb::MsMs 61185 Specdb::MsMs 61186 Specdb::MsMs 61187 Specdb::MsMs 117669 Specdb::MsMs 117670 Specdb::MsMs 117671 Specdb::MsMs 2709791 Specdb::MsMs 2709792 Specdb::MsMs 2709793 Specdb::MsMs 2996030 Specdb::MsMs 2996031 Specdb::MsMs 2996032 HMDB36224 #<Reference:0x000055ce3316b0f0> fruity herbal spicy warm