Compound: METHYL 4-METHOXYBENZOATE
SMILES: O=C(OC)c1ccc(OC)cc1
InChIKey: DDIZAANNODHTRB-UHFFFAOYSA-N
Synonyms: METHYL 4-METHOXYBENZOATE, 121-98-2, Methyl anisate, Methyl p-anisate, Benzoic acid, 4-methoxy-, methyl ester, Methyl p-methoxybenzoate, 4-Methoxybenzoic acid methyl ester, Methyl 4-Anisate, p-Anisic acid, methyl ester, p-Methoxybenzoic acid methyl ester, FEMA No. 2679, Benzoic acid, p-methoxy-, methyl ester, anisate, 4-methoxy methylbenzoate, NSC 7324, NSC-7324, EINECS 204-513-2, BRN 2208571, DTXSID7047645, AI3-00229, 2MFL7873W9, METHYL ANISATE [FHFI], DTXCID5027645, CHEBI:86903, METHYL SALICYLATE IMPURITY D [EP IMPURITY], METHYL SALICYLATE IMPURITY D (EP IMPURITY), Methyl panisate, Methyl 4anisate, Methyl pmethoxybenzoate, Methyl 4methoxybenzoate, RefChem:817626, pAnisic acid, methyl ester, pMethoxybenzoic acid methyl ester, 4Methoxybenzoic acid methyl ester, Benzoic acid, pmethoxy, methyl ester, Benzoic acid, 4methoxy, methyl ester, 204-513-2, InChI=1/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H, p-Anisic acid methyl ester, MFCD00008437, 4-methoxy-benzoic acid methyl ester, CHEMBL1762668, Methyl ester of p-Methoxybenzoic acid, methyl4-methoxybenzoate, UNII-2MFL7873W9, Methyl-p-anisate, FEMA 2679, Miconazole Impurity 10, Methyl p-anisate, 99%, bmse010016, Salicylic Acid Impurity 10, WLN: 1OVR DO1, SCHEMBL231243, SCHEMBL299808, F1335-0002, orb1306712, SCHEMBL4415507, SCHEMBL6169001, SCHEMBL7302208, METHYL-4-METHOXYBENZOATE, NSC7324, Methyl p-anisate, >=99%, FG, Tox21_302682, AC7521, BDBM50340087, SBB058204, STK041805, AKOS000501135, AC-7084, CS-W016058, EBC-152063, FM36573, HY-W015342, NCGC00256751-01, CAS-121-98-2, DS-13900, SY003911, DB-012814, A1125, NS00012845, ST45048310, EN300-107567, AQ-917/40232598, F037871, Q6823933, Z19787338, p-Methoxybenzoic acid methyl ester, Methyl p-anisate, Methyl p-methoxybenzoate, Methyl 4-methoxybenzoate, 4-(Methoxycarbonyl)anisole, 4-Methoxybenzoic acid methyl ester, NSC 7324,p-Anisic acid, methyl ester (6CI,7CI,8CI)
Theoretical properties:
molecular_formula: C9H10O3
molecular_weight: 166.17 g/mol
exact_mass: 166.062994177 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 3
heavy_atom_count: 12
topological_polar_surface_area: 35.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
boiling_point: 244.00 to 245.00 °C. @ 760.00 mm Hg
melting_point: 48 °C
solubility: 0.643 mg/mL at 20 °C
Descriptions:
pubchem: Methyl p-anisate is a benzoate ester obtained by the formal condensation of the carboxy group of 4-methoxybenzoic acid with methanol. It is a monomethoxybenzene and a benzoate ester. It is functionally related to a 4-methoxybenzoic acid.
chebi: A benzoate ester obtained by the formal condensation of the carboxy group of 4-methoxybenzoic acid with methanol.
chembl: METHYL 4-METHOXYBENZOATE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Methyl anisate is the methyl ester of p-anisic acid. It is found in star anise.
It is an organic compound commonly used within the food industry. It is also commonly employed as a fragrance for certain perfumes. This compound can be synthesized directly through the condensation of methanol and 4-methoxybenzoic acid or PHBA. Its characteristic odor is similar to that of feijoa tree fruits, a flowery odor.