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Substance Name: 3-Isopropylcatechol
RN: 2138-48-9
UNII: SOV0198261
InChIKey: XLZHGKDRKSKCAU-UHFFFAOYSA-N

Molecular Formula

  • C9-H12-O2

Molecular Weight

  • 152.192
 
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Names and Synonyms

Name of Substance

  • 3-Isopropylcatechol

Synonyms

  • 3-(1-Methylethyl)-1,2-benzenediol
  • 3-Isopropylcatechol
  • 3-Isopropylpyrocatechol
  • BRN 2043545
  • EINECS 218-385-0
  • NSC 62675
  • UNII-SOV0198261

Systematic Names

  • 1,2-Benzenediol, 3-(1-methylethyl)- (9CI)
  • 3-Isopropylpyrocatechol
  • Pyrocatechol, 3-isopropyl-

Registry Numbers

CAS Registry Number

  • 2138-48-9

FDA UNII

  • SOV0198261

System Generated Number

  • 0002138489

Structure Descriptors

InChI

1S/C9H12O2/c1-6(2)7-4-3-5-8(10)9(7)11/h3-6,10-11H,1-2H3

InChIKey

XLZHGKDRKSKCAU-UHFFFAOYSA-N

Smiles

c1(c(c(ccc1)O)O)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 32mg/kg (32mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07863,