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Methyl p-anisate

Name: Methyl <I>p</I>-anisate
Brand: ALDRICH

99%

Synonym(s):

p-Anisic acid methyl ester, Methyl 4-methoxybenzoate

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About This Item

Linear Formula:

CH₃OC₆H₄CO₂CH₃

CAS Number:

121-98-2

Molecular Weight:

166.17

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24855265

EC Number:

204-513-2

Beilstein/REAXYS Number:

2208571

MDL number:

MFCD00008437

Assay:

99%

Form:

solid

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Properties

Quality Segment

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.

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Storage Class

11 - Combustible Solids

wgk

WGK 2

flash_point_f

233.6 °F - closed cup

flash_point_c

112 °C - closed cup

ppe

Eyeshields, Gloves, type N95 (US)

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