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Substance Name: Benzoic acid, 2-hydroxy-5-methyl-, methyl ester
RN: 22717-57-3
UNII: 8GMK8QL99V
InChIKey: JQYUQKRFSSSGJM-UHFFFAOYSA-N

Molecular Formula

  • C9-H10-O3

Molecular Weight

  • 166.175
 
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Names and Synonyms

Name of Substance

  • Benzoic acid, 2-hydroxy-5-methyl-, methyl ester

Synonyms

  • 2,5-Cresotic acid, methyl ester
  • EINECS 245-173-5
  • Methyl 5-methylsalicylate
  • NSC 165635
  • UNII-8GMK8QL99V

Systematic Names

  • Benzoic acid, 2-hydroxy-5-methyl-, methyl ester
  • Methyl 6-hydroxy-m-toluate

Registry Numbers

CAS Registry Number

  • 22717-57-3

FDA UNII

  • 8GMK8QL99V

System Generated Number

  • 0022717573

Structure Descriptors

InChI

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

InChIKey

JQYUQKRFSSSGJM-UHFFFAOYSA-N

Smiles

COC(=O)c1cc(C)ccc1O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1 deg C   EXP
Boiling Point 244.5 deg C   EXP
log P (octanol-water) 3.150 (none)   EST
Atmospheric OH Rate Constant 1.36E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.