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Substance Name: Benzoic acid, 2-hydroxy-3-methyl-6-(1-methylethyl)- (9CI)
RN: 4389-53-1
InChIKey: ZHLQYPNVDAMSFD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H14-O3

Molecular Weight

  • 194.2286
 
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Names and Synonyms

Synonyms

  • 2-Hydroxy-3-methyl-6-(1-methylethyl)benzoic acid
  • 2-Hydroxy-3-methyl-6-isopropylbenzoic acid
  • 2-Hydroxy-p-cymene-3-carboxylic acid
  • 4-10-00-00738 (Beilstein Handbook Reference)
  • 6-Isopropyl-3-methylsalicylic acid
  • BRN 2615957
  • o-Carvacrotic acid
  • o-Carvacrotinic acid

Systematic Names

  • Benzoic acid, 2-hydroxy-3-methyl-6-(1-methylethyl)- (9CI)
  • p-Cymene-3-carboxylic acid, 2-hydroxy-

Registry Numbers

CAS Registry Number

  • 4389-53-1

System Generated Number

  • 0004389531

Structure Descriptors

InChI

1S/C11H14O3/c1-6(2)8-5-4-7(3)10(12)9(8)11(13)14/h4-6,12H,1-3H3,(H,13,14)

InChIKey

ZHLQYPNVDAMSFD-UHFFFAOYSA-N

Smiles

Cc1ccc(c(c1O)C(=O)O)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 216mg/kg (216mg/kg)   Farmaco, Edizione Scientifica. Vol. 20, Pg. 506, 1965.
rat LDLo intraperitoneal 237mg/kg (237mg/kg)   Journal of Pharmaceutical Sciences. Vol. 57, Pg. 989, 1968.