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Substance Name: 4-Isopropylcatechol
RN: 2138-43-4
UNII: SE856V0X6N
InChIKey: WYVMDJWLFVQZAL-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C9-H12-O2

Molecular Weight

  • 152.192
 
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Names and Synonyms

Name of Substance

  • 4-Isopropylcatechol

Synonyms

  • 1,2-Benzenediol, 4-(1-methylethyl)-
  • 3-06-00-04632 (Beilstein Handbook Reference)
  • 4-Isopropylcatechol
  • BRN 2043519
  • EINECS 218-384-5
  • NSC 62676
  • Pyrocatechol, 4-isopropyl-
  • UNII-SE856V0X6N

Systematic Names

  • 1,2-Benzenediol, 4-(1-methylethyl)- (9CI)
  • 4-(1-Methylethyl)-1,2-benzenediol
  • 4-Isopropylpyrocatechol
  • Pyrocatechol, 4-isopropyl-

Registry Numbers

CAS Registry Number

  • 2138-43-4

FDA UNII

  • SE856V0X6N

System Generated Number

  • 0002138434

Structure Descriptors

InChI

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

InChIKey

WYVMDJWLFVQZAL-UHFFFAOYSA-N

Smiles

c1(cc(c(O)cc1)O)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07862,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 78 deg C   EXP
Boiling Point 271 deg C   EXP
log P (octanol-water) 2.490 (none)   EST
Atmospheric OH Rate Constant 5.70E-11 cm3/molecule-sec 25 EST

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