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Substance Name: p-tert-Butyl catechol
RN: 98-29-3
UNII: 9A069144KR
InChIKey: XESZUVZBAMCAEJ-UHFFFAOYSA-N

Classification Codes

  • Antioxidants
  • Mutation Data
  • Protective Agents
  • Skin / Eye Irritant
  • Tumor Data

Molecular Formula

  • C10-H14-O2

Molecular Weight

  • 166.219
 
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Names and Synonyms

Name of Substance

  • p-tert-Butyl catechol

Synonyms

  • 1,2-Benzenediol, 4-(1,1-dimethylethyl)-
  • 1,2-Dihydroxy-4-tert-butylbenzene
  • 4-06-00-06014 (Beilstein Handbook Reference)
  • 4-t-Butylcatechol
  • 4-t-Butylpyrocatechol
  • 4-TBC
  • 4-tert-Butyl-1,2-benzenediol
  • 4-tert-Butyl-1,2-dihydroxybenzene
  • 4-tert-Butylcatechin
  • 4-tert-Butylcatechol
  • 4-tert-Butylpyrocatechol
  • 4-tert-Butylpyrokatechin
  • 4-tert-Butylpyrokatechin [Czech]
  • AI3-24363
  • BRN 2043335
  • CCRIS 3332
  • EC 202-653-9
  • EINECS 202-653-9
  • NSC 5310
  • p-t-Butylpyrocatechol
  • p-tert-Butylcatechol
  • p-tert-Butylpyrocatechol
  • Synox TBC
  • UNII-9A069144KR

Systematic Names

  • 1,2-Benzenediol, 4-(1,1-dimethylethyl)-
  • 4-tert-Butylpyrocatechol
  • p-tert-Butylcatechol
  • Pyrocatechol, 4-tert-butyl-

Superlist Names

  • 1,2-Benzenediol, 4-(1,1-dimethylethyl)-
  • 4-tert-Butylcatechol
  • Pyrocatechol, 4-tert-butyl-
  • t-Butyl catechol

Registry Numbers

CAS Registry Number

  • 98-29-3

FDA UNII

  • 9A069144KR

System Generated Number

  • 0000098293

Structure Descriptors

InChI

1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3

InChIKey

XESZUVZBAMCAEJ-UHFFFAOYSA-N

Smiles

C(c1cc(c(O)cc1)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#07874,
rabbit LD50 skin 630uL/kg (0.63mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 oral 2820mg/kg (2820mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LDLo skin 2gm/kg (2000mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0571349,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 54.3 deg C   EXP
Boiling Point 285 deg C   EXP
log P (octanol-water) 2.940 (none)   EST
Water Solubility 2000 mg/L 25 EXP
Atmospheric OH Rate Constant 5.13E-11 cm3/molecule-sec 25 EST

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