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253146 Sigma-Aldrich

Methyl p-anisate

99%

Synonym: p-Anisic acid methyl ester, Methyl 4-methoxybenzoate

  • CAS Number 121-98-2

  • Linear Formula CH3OC6H4CO2CH3

  • Molecular Weight 166.17

  •  Beilstein/REAXYS Number 2208571

  •  EC Number 204-513-2

  •  MDL number MFCD00008437

  •  PubChem Substance ID 24855265

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters,
assay   99%
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

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.

Packaging

25, 100 g in poly bottle

Safety & Documentation

Safety Information

Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 2
RTECS 
BZ4925000
Flash Point(F) 
233.6 °F - closed cup
Flash Point(C) 
112 °C - closed cup

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Meet Synthia - Retrosynthesis Sofware
Protocols & Articles
Peer-Reviewed Papers
15

References

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