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Substance Name: Benzoic acid, 2-hydroxy-3-methyl-, methyl ester
RN: 23287-26-5
InChIKey: SUHLUMKZPUMAFP-UHFFFAOYSA-N

Molecular Formula

  • C9-H10-O3

Molecular Weight

  • 166.175
 
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Names and Synonyms

Synonyms

  • 2-Hydroxy-3-methylbenzoic acid methyl ester
  • 4-10-00-00602 (Beilstein Handbook Reference)
  • BRN 2413202
  • EINECS 245-557-2
  • Levegal PT
  • Methyl 2-hydroxy-3-methylbenzoate
  • Methyl 3-methylsalicylate
  • Methyl o-cresotinate
  • NSC 165638

Systematic Names

  • 2,3-Cresotic acid, methyl ester (8CI)
  • Benzoic acid, 2-hydroxy-3-methyl-, methyl ester
  • Methyl 3-methylsalicylate

Registry Numbers

CAS Registry Number

  • 23287-26-5

Other Registry Number

  • 50922-47-9

System Generated Number

  • 0023287265

Structure Descriptors

InChI

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

InChIKey

SUHLUMKZPUMAFP-UHFFFAOYSA-N

Smiles

c1(c(c(ccc1)C)O)C(OC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 340mg/kg (340mg/kg)   Medycyna Pracy. Industrial Medicine. Vol. 20, Pg. 519, 1969.
rat LD50 oral 3840mg/kg (3840mg/kg)   Medycyna Pracy. Industrial Medicine. Vol. 20, Pg. 519, 1969.
rat LD50 subcutaneous 2800mg/kg (2800mg/kg)   Medycyna Pracy. Industrial Medicine. Vol. 13, Pg. 185, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 29 deg C   EXP
Boiling Point 235 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.