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Substance Name: 1,2,4-Trimethylbenzene
RN: 95-63-6
UNII: 34X0W8052F
InChIKey: GWHJZXXIDMPWGX-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C9-H12

Molecular Weight

  • 120.194
 

Names and Synonyms

Name of Substance

  • 1,2,4-Trimethylbenzene
  • Pseudocumene

Synonyms

  • 1,2,4-Trimethylbenzene
  • 1,2,5-Trimethylbenzene
  • 1,3,4-Trimethylbenzene
  • AI3-03976
  • as-Trimethylbenzene
  • Asymmetrical trimethylbenzene
  • Benzene, 1,2,4-trimethyl-
  • Benzene, 1,2,5-trimethyl-
  • CCRIS 8146
  • EC 202-436-9
  • EINECS 202-436-9
  • HSDB 5293
  • NSC 65600
  • Pseudocumene
  • Pseudocumol
  • psi-Cumene
  • UNII-34X0W8052F
  • Uns-trimethylbenzene

Systematic Names

  • 1,2,4-Trimethylbenzene
  • Benzene, 1,2,4-trimethyl-

Superlist Names

  • 1,2,4-Trimethyl benzene
  • 1,2,4-Trimethylbenzene
  • Benzene, 1,2,4-trimethyl-
  • Pseudocumene

Registry Numbers

CAS Registry Number

  • 95-63-6

FDA UNII

  • 34X0W8052F

System Generated Number

  • 0000095636

Structure Descriptors

InChI

1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3

InChIKey

GWHJZXXIDMPWGX-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo intraperitoneal 1788mg/kg (1788mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 9, Pg. 227, 1954.
rat LC50 inhalation 18gm/m3/4H (18000mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(5), Pg. 15, 1979.
rat LD50 oral 5gm/kg (5000mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 34, 1986.
rat LDLo intraperitoneal 1752mg/kg (1752mg/kg)   "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 1258, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.38E+01 deg C   EXP
Boiling Point 169.3 deg C   EXP
log P (octanol-water) 3.63 (none)   EXP
Water Solubility 57 mg/L 25 EXP
Vapor Pressure 2.1 mm Hg 25 EXP
Henry's Law Constant 0.00616 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 3.25E-11 cm3/molecule-sec 25 EXP

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