253146

Methyl p-anisate

99%

• Synonym(s): p-Anisic acid methyl ester, Methyl 4-methoxybenzoate
• Linear Formula: CH₃OC₆H₄CO₂CH₃
• CAS Number: 121-98-2
• Molecular Weight: 166.17
• Beilstein: 2208571
• EC Number: 204-513-2
• MDL number: MFCD00008437
• UNSPSC Code: 12352100
• PubChem Substance ID: 24855265
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 99%
• form: solid
• bp: 244-245 °C (lit.)
• mp: 47-51 °C (lit.)
• functional group: ester
• SMILES string: COC(=O)c1ccc(OC)cc1
• InChI: 1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
• InChI key: DDIZAANNODHTRB-UHFFFAOYSA-N

Description

General description

Methyl p-anisate is a volatile compound released from Mycobacterium tuberculosis and is detected in the breath of tuberculosis patients. It is a potential biomarker for mycobacteria.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 2
• Flash Point(F): 233.6 °F - closed cup
• Flash Point(C): 112 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves