1.0 2010-04-08 22:09:12 UTC 2019-11-26 03:03:52 UTC FDB010588 Methyl 4-methoxybenzoate Flavouring ingredient. Methyl 4-methoxybenzoate is found in star anise. 4-methoxy methylbenzoate 4-Methoxybenzoic acid methyl ester Benzoic acid, 4-methoxy-, methyl ester Benzoic acid, p-methoxy-, methyl ester FEMA 2679 Methyl 4-methoxybenzoate Methyl 4-methoxybenzoic acid Methyl ester of p-methoxybenzoic acid Methyl p-anisate Methyl p-methoxybenzoate P-anisic acid methyl ester P-anisic acid, methyl ester P-methoxybenzoic acid methyl ester C9H10O3 166.1739 166.062994186 methyl 4-methoxybenzoate methyl anisate 121-98-2 COC(=O)C1=CC=C(OC)C=C1 InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3 DDIZAANNODHTRB-UHFFFAOYSA-N belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group. P-methoxybenzoic acids and derivatives Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds Alkyl aryl ethers Anisoles Benzoic acid esters Benzoyl derivatives Hydrocarbon derivatives Methoxybenzenes Methyl esters Monocarboxylic acids and derivatives Organic oxides Phenoxy compounds Alkyl aryl ether Anisole Aromatic homomonocyclic compound Benzoate ester Benzoyl Carboxylic acid derivative Carboxylic acid ester Ether Hydrocarbon derivative Methoxybenzene Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound P-methoxybenzoic acid or derivatives Phenol ether Phenoxy compound benzoate ester monomethoxybenzene logp 2.05 ALOGPS logs -2.08 ALOGPS solubility 1.37e+00 g/l ALOGPS melting_point Mp 48° logp 1.82 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac methyl 4-methoxybenzoate ChemAxon average_mass 166.1739 ChemAxon mono_mass 166.062994186 ChemAxon smiles COC(=O)C1=CC=C(OC)C=C1 ChemAxon formula C9H10O3 ChemAxon inchi InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3 ChemAxon inchikey DDIZAANNODHTRB-UHFFFAOYSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 44.55 ChemAxon polarizability 17.21 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5669 Specdb::MsIr 5670 Specdb::CMs 9293 Specdb::CMs 27214 Specdb::CMs 29140 Specdb::CMs 29869 Specdb::CMs 101247 Specdb::CMs 101248 Specdb::CMs 101249 Specdb::CMs 168162 Specdb::MsMs 47952 Specdb::MsMs 47953 Specdb::MsMs 47954 Specdb::MsMs 134022 Specdb::MsMs 134023 Specdb::MsMs 134024 Specdb::MsMs 3058405 Specdb::MsMs 3058406 Specdb::MsMs 3058407 Specdb::MsMs 3107936 Specdb::MsMs 3107937 Specdb::MsMs 3107938 HMDB32639 #<Reference:0x000055ce32362328> Star anise Type 1 specific Illicium verum 124778 15.05 15.05 15.05 mg/100 g anise balsam herbal melon sweet Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. Perfumery 1206 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.