1.0 2010-04-08 22:14:52 UTC 2015-07-21 06:43:43 UTC FDB020213 4-Methylbenzyl alcohol acetate Component of FEMA 2684. Flavouring ingredient 4-Methylbenzenemethanol acetate 4-Methylbenzyl acetate 4-Methylbenzyl ethanoate 4-Tolylcarbinol Alpha-hydroxy-p-xylene Benzenemethanol, 4-methyl-, 1-acetate Benzenemethanol, 4-methyl-, acetate Benzyl alcohol, p-methyl-, acetate P-acetoxymethyltoluene P-methylbenzyl acetate P-methylbenzyl alcohol acetate P-tolubenzyl acetate P-xylene, &alpha;-acetoxy P-xylene, alpha-acetoxy C10H12O2 164.2011 164.083729628 (4-methylphenyl)methyl acetate P-methylbenzyl acetate 2216-45-7 CC(=O)OCC1=CC=C(C)C=C1 InChI=1S/C10H12O2/c1-8-3-5-10(6-4-8)7-12-9(2)11/h3-6H,7H2,1-2H3 WDCUPFMSLUIQBH-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 Toluenes 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 Toluene logp 2.71 ALOGPS logs -3.02 ALOGPS solubility 1.58e-01 g/l ALOGPS logp 2.16 ChemAxon pka_strongest_basic -7 ChemAxon iupac (4-methylphenyl)methyl acetate ChemAxon average_mass 164.2011 ChemAxon mono_mass 164.083729628 ChemAxon smiles CC(=O)OCC1=CC=C(C)C=C1 ChemAxon formula C10H12O2 ChemAxon inchi InChI=1S/C10H12O2/c1-8-3-5-10(6-4-8)7-12-9(2)11/h3-6H,7H2,1-2H3 ChemAxon inchikey WDCUPFMSLUIQBH-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 47.07 ChemAxon polarizability 18.18 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24602 Specdb::CMs 28510 Specdb::CMs 102153 Specdb::CMs 136390 Specdb::CMs 144124 Specdb::MsMs 320458 Specdb::MsMs 320459 Specdb::MsMs 320460 Specdb::MsMs 367828 Specdb::MsMs 367829 Specdb::MsMs 367830 Specdb::MsMs 2358492 Specdb::MsMs 2358493 Specdb::MsMs 2358494 Specdb::MsMs 2603129 Specdb::MsMs 2603130 Specdb::MsMs 2603131 Specdb::MsIr 8982 Specdb::MsIr 8983 HMDB40460 1895 #<Reference:0x000055ce32c2c558> floral fruity green herbal sweet