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Substance Name: Hemimellitene
RN: 526-73-8
UNII: ZK4R7UPH6R
InChIKey: FYGHSUNMUKGBRK-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C9-H12

Molecular Weight

  • 120.194
 
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Names and Synonyms

Name of Substance

  • Hemimellitene

Synonyms

  • 1,2,3-Trimethylbenzene
  • 1,2,3-Trimethylbenzene, 90.5%
  • 4-05-00-01007 (Beilstein Handbook Reference)
  • BRN 1903410
  • CCRIS 8145
  • EINECS 208-394-8
  • Hemellitol
  • Hemimellitene
  • Hemimellitol
  • HSDB 7551
  • NSC 5167
  • UNII-ZK4R7UPH6R

Systematic Names

  • 1,2,3-Trimethylbenzene
  • Benzene, 1,2,3-trimethyl-

Superlist Name

  • 1,2,3-Trimethylbenzene

Registry Numbers

CAS Registry Number

  • 526-73-8

FDA UNII

  • ZK4R7UPH6R

System Generated Number

  • 0000526738

Structure Descriptors

InChI

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

InChIKey

FYGHSUNMUKGBRK-UHFFFAOYSA-N

Smiles

c1(c(cccc1C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 10mL/kg (10mL/kg) LUNGS, THORAX, OR RESPIRATION: "FIBROSIS, FOCAL (PNEUMOCONIOSIS)"

BLOOD: HEMORRHAGE

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
AMA Archives of Industrial Health. Vol. 19, Pg. 403, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.54E+01 deg C   EXP
Boiling Point 176.1 deg C   EXP
log P (octanol-water) 3.66 (none)   EXP
Water Solubility 75.2 mg/L 25 EXP
Vapor Pressure 1.69 mm Hg 25 EXP
Henry's Law Constant 0.00436 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 3.27E-11 cm3/molecule-sec 25 EXP

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