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Sigma-Aldrich

Methyl p-anisate

99%

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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
PubChem Substance ID:
24855265
NACRES:
NA.22

Assay

99%

form

solid

bp

244-245 °C (lit.)

mp

47-51 °C (lit.)

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

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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.

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

Regulatory Information

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Amy Scott-Thomas et al.
Journal of breath research, 7(3), 037108-037108 (2013-07-23)
Mycobacterium tuberculosis releases four volatile compounds, methyl phenyl-acetate, methyl nicotinate, methyl p-anisate and o-phenylanisole, some of which we have previously been reported to be detected in the breath of tuberculosis patients (Syhre et al 2009 Tuberculosis 89 263-6). These volatiles have
Ronald P Manginell et al.
Journal of breath research, 7(3), 037107-037107 (2013-07-23)
Pathogenic Mycobacteria cause diseases in animals and humans with significant economic and societal consequences. Current methods for Mycobacterial detection relies upon time- and labor-intensive techniques such as culturing or DNA analysis. Using gas chromatography and mass spectrometry, four volatile compounds
Fabrizio Carta et al.
Bioorganic & medicinal chemistry letters, 21(8), 2521-2526 (2011-03-16)
The inhibition of the β-carbonic anhydrases (CAs, EC 4.2.1.1) from the pathogenic fungi Cryptococcus neoformans (Can2) and Candida albicans (Nce103) with a series of 25 branched aliphatic and aromatic carboxylates has been investigated. Human isoforms hCA I and II were

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