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CAS Number: 42113-13-3
methyl 4-hydroxy-3-methylbenzoate

Structure

methyl 4-hydroxy-3-methylbenzoate
Name: methyl 4-hydroxy-3-methylbenzoate
Synonyms:
General Information
Product Number: 42113133

CAS Registry Number 42113-13-3
Name:
Benzoic acid, 4-?hydroxy-?3-?methyl-?, methyl ester
4,3-Cresotic acid, methyl ester (6CI)
4-Hydroxy-3-methylbenzoic acid methyl ester
Methyl 3-methyl-4-hydroxybenzoate
Methyl 4-hydroxy-3-methylbenzoate

 

Chemical Formula: C9H10O3
Exact Mass: 166.06
Molecular Weight: 166.17
m/z: 166.06 (100.0%), 167.07 (10.0%), 168.07 (1.1%)

 

InChI:InChI=1S/C9H10O3/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5,10H,1-2H3

InChI Key:QBMHMOKIFSCFCX-UHFFFAOYSA-N

Canonical SMILES:CC1=C(C=CC(=C1)C(=O)OC)O

 

Thermal Properties Value Condition Note
Melting Point 124-125 °C   (2)CAS
Melting Point 124-125 °C   (3)IC

Specification

98%

References
  1. (2) Yoon, T. P.; Science of Synthesis 2006, V20b, P1285-1304 CAPLUS
  2. (3) Danishefsky, Samuel; Journal of the American Chemical Society 1979, V101(23), P7001-8 CAPLUS
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