1.0 2010-04-08 22:10:48 UTC 2015-07-20 23:00:38 UTC FDB013594 4-Methoxybenzyl butanoate Flavouring agent (4-Methoxyphenyl)methyl butanoate 4-Methoxybenzyl butanoate 4-Methoxybenzyl butyrate Anisyl butyrate Benzyl alcohol, p-methoxy-, butyrate Butanoic acid, (4-methoxyphenyl)methyl ester Butyric acid, p-methoxybenzyl ester Butyric acid, p-methoxybenzyl ester (8CI) FEMA 2100 Methoxybenzyl alcohol butyrate, p- Methoxybenzyl butyrate, p- P-Methoxybenzyl alcohol butyrate P-Methoxybenzyl butyrate C12H16O3 208.2536 208.109944378 (4-methoxyphenyl)methyl butanoate (4-methoxyphenyl)methyl butanoate 6963-56-0 CCCC(=O)OCC1=CC=C(OC)C=C1 InChI=1S/C12H16O3/c1-3-4-12(13)15-9-10-5-7-11(14-2)8-6-10/h5-8H,3-4,9H2,1-2H3 MEPOOZLETHNMSR-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 Alkyl aryl ethers Anisoles Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Methoxybenzenes Monocarboxylic acids and derivatives Organic oxides Phenoxy compounds Alkyl aryl ether Anisole Aromatic homomonocyclic compound Benzyloxycarbonyl Carbonyl group Carboxylic acid derivative Carboxylic acid ester Ether Fatty acid ester Fatty acyl Hydrocarbon derivative Methoxybenzene Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound logp 3.20 ALOGPS logs -3.43 ALOGPS solubility 7.75e-02 g/l ALOGPS logp 2.63 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac (4-methoxyphenyl)methyl butanoate ChemAxon average_mass 208.2536 ChemAxon mono_mass 208.109944378 ChemAxon smiles CCCC(=O)OCC1=CC=C(OC)C=C1 ChemAxon formula C12H16O3 ChemAxon inchi InChI=1S/C12H16O3/c1-3-4-12(13)15-9-10-5-7-11(14-2)8-6-10/h5-8H,3-4,9H2,1-2H3 ChemAxon inchikey MEPOOZLETHNMSR-UHFFFAOYSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 57.72 ChemAxon polarizability 23.14 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21139 Specdb::CMs 153532 Specdb::MsIr 6764 Specdb::MsIr 6765 Specdb::MsMs 106521 Specdb::MsMs 106522 Specdb::MsMs 106523 Specdb::MsMs 173298 Specdb::MsMs 173299 Specdb::MsMs 173300 Specdb::MsMs 3044122 Specdb::MsMs 3044123 Specdb::MsMs 3044124 Specdb::MsMs 3100171 Specdb::MsMs 3100172 Specdb::MsMs 3100173 HMDB34991 #<Reference:0x000055ce332a5d58> anisic buttery floral fruity sweet tropical