1.0 2010-04-08 22:09:53 UTC 2019-11-26 03:05:42 UTC FDB011898 4-Methoxybenzyl acetate Found in fruits, Bourbon vanilla and Tahiti vanilla. It is used in flavour industry. 4-Methoxybenzenemethanol, acetate 4-Methoxybenzenenemethyl acetate 4-Methoxybenzyl acetate Acetic acid p-methoxybenzyl ester Anisyl acetate Anisyl acetate, p-isomer Benzenemethanol, 4-methoxy-, 1-acetate Benzenemethanol, 4-methoxy-, acetate Benzyl alcohol, p-methoxy-, acetate Benzyl alcohol, p-methoxy-, acetate (8CI) Cassie ketone FEMA 2098 Methoxybenzyl acetate, p- P-methoxybenzyl acetate P-methoxybenzyl alcohol acetate C10H12O3 180.2005 180.07864425 (4-methoxyphenyl)methyl acetate (4-methoxyphenyl)methyl acetate 104-21-2 COC1=CC=C(COC(C)=O)C=C1 InChI=1S/C10H12O3/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3 HFNGYHHRRMSKEU-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 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 Hydrocarbon derivative Methoxybenzene Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound carboxylic ester logp 2.20 ALOGPS logs -2.70 ALOGPS solubility 3.59e-01 g/l ALOGPS melting_point 84 oC logp 1.49 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac (4-methoxyphenyl)methyl acetate ChemAxon average_mass 180.2005 ChemAxon mono_mass 180.07864425 ChemAxon smiles COC1=CC=C(COC(C)=O)C=C1 ChemAxon formula C10H12O3 ChemAxon inchi InChI=1S/C10H12O3/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3 ChemAxon inchikey HFNGYHHRRMSKEU-UHFFFAOYSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 48.49 ChemAxon polarizability 19.05 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6243 Specdb::MsIr 6244 Specdb::CMs 19654 Specdb::CMs 26986 Specdb::CMs 27248 Specdb::CMs 28113 Specdb::CMs 29085 Specdb::CMs 101389 Specdb::CMs 101390 Specdb::CMs 101391 Specdb::CMs 101392 Specdb::CMs 169761 Specdb::MsMs 94392 Specdb::MsMs 94393 Specdb::MsMs 94394 Specdb::MsMs 158415 Specdb::MsMs 158416 Specdb::MsMs 158417 Specdb::MsMs 2416219 Specdb::MsMs 2416220 Specdb::MsMs 2416221 Specdb::MsMs 2546400 Specdb::MsMs 2546401 Specdb::MsMs 2546402 HMDB33761 #<Reference:0x000055ce31f32be0> Fruits Unknown generic Herbs and Spices Unknown generic almond balsam cherry coumarin creamy fruity plum powdery sweet tonka vanilla