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Substance Name: 2,3,5-Trimethylquinol
RN: 700-13-0
UNII: GSY6340N4A
InChIKey: AUFZRCJENRSRLY-UHFFFAOYSA-N

Note

  • Reducing agent.

Classification Code

  • Reproductive Effect

Molecular Formula

  • C9-H12-O2

Molecular Weight

  • 152.192
 
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Names and Synonyms

Name of Substance

  • 2,3,5-Trimethylquinol

Synonyms

  • 2,3,5-Trimethyl-1,4-benzenediol
  • 2,3,5-Trimethylhydroquinone
  • 2,3,6-Trimethylhydroquinone
  • AI3-61040
  • EC 211-838-3
  • EINECS 211-838-3
  • NSC 401617
  • Pseudocumohydroquinone
  • psi-Cumohydroquinone
  • Trimethylhydroquinone
  • UNII-GSY6340N4A

Systematic Names

  • 1,4-Benzenediol, 2,3,5-trimethyl-
  • 2,3,5-Trimethylhydroquinone
  • Hydroquinone, trimethyl-

Registry Numbers

CAS Registry Number

  • 700-13-0

FDA UNII

  • GSY6340N4A

System Generated Number

  • 0000700130

Structure Descriptors

InChI

1S/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H3

InChIKey

AUFZRCJENRSRLY-UHFFFAOYSA-N

Smiles

c1(c(c(cc(c1O)C)O)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 65mg/kg (65mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
BG Chemie: Toxicological Evaluations, Five Potential Health Hazards of Existing Chemicals. Vol. 5, Pg. 125, 1993.
rabbit LD50 skin > 200mg/kg (200mg/kg)   BG Chemie: Toxicological Evaluations, Five Potential Health Hazards of Existing Chemicals. Vol. 5, Pg. 125, 1993.
rat LC50 inhalation 1500mg/m3/4H (1500mg/m3) CARDIAC: OTHER CHANGES

SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE

LUNGS, THORAX, OR RESPIRATION: EMPHYSEMA
BG Chemie: Toxicological Evaluations, Five Potential Health Hazards of Existing Chemicals. Vol. 5, Pg. 125, 1993.
rat LD50 oral 3200mg/kg (3200mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BG Chemie: Toxicological Evaluations, Five Potential Health Hazards of Existing Chemicals. Vol. 5, Pg. 125, 1993.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.69 (none)   EXP
Water Solubility 1.02E+04 mg/L 25 EST
Vapor Pressure 2.04E-04 mm Hg 25 EST
Henry's Law Constant 7.84E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.92E-10 cm3/molecule-sec 25 EST

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