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Substance Name: Mesitylene
RN: 108-67-8
UNII: 887L18KQ6X
InChIKey: AUHZEENZYGFFBQ-UHFFFAOYSA-N

Classification Codes

  • Human Data
  • Mutation Data
  • Skin / Eye Irritant

Molecular Formula

  • C9-H12

Molecular Weight

  • 120.194
 
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Names and Synonyms

Name of Substance

  • Mesitylene

Synonyms

  • 1,3,5-Trimethylbenzene
  • 3,5-Dimethyltoluene
  • AI3-23973
  • Benzene, 1,3,5-trimethyl-
  • CCRIS 8147
  • EC 203-604-4
  • EINECS 203-604-4
  • Fleet-X
  • HSDB 92
  • Mesitylene
  • NSC 9273
  • sym-Trimethylbenzene
  • TMB
  • Trimethylbenzol
  • UNII-887L18KQ6X

Systematic Names

  • 1,3,5-Trimethylbenzene
  • Benzene, 1,3,5-trimethyl-
  • Mesitylene

Superlist Names

  • 1,3,5-Trimethylbenzene
  • 1,3,5-Trimethylbenzene [UN2325] [Flammable liquid]
  • Mesitylene
  • Trimethylbenzene, 1,3,5-
  • UN2325

Registry Numbers

CAS Registry Number

  • 108-67-8

FDA UNII

  • 887L18KQ6X

System Generated Number

  • 0000108678

Structure Descriptors

InChI

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

InChIKey

AUHZEENZYGFFBQ-UHFFFAOYSA-N

Smiles

c1(cc(cc(c1)C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo intraperitoneal 1303mg/kg (1303mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 9, Pg. 227, 1954.
human TCLo inhalation 10ppm (10ppm) PERIPHERAL NERVE AND SENSATION: SENSORY CHANGE INVOLVING PERIPHERAL NERVE

LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Zeitschrift fuer Unfallmedizin und Berufskrankheiten. Revue de Medecine des Accidents et des Maladies Professionelles. Vol. 49, Pg. 265, 1956.
rat LC50 inhalation 24gm/m3/4H (24000mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(5), Pg. 15, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.47E+01 deg C   EXP
Boiling Point 164.7 deg C   EXP
log P (octanol-water) 3.42 (none)   EXP
Water Solubility 48.2 mg/L 25 EXP
Vapor Pressure 2.48 mm Hg 25 EXP
Henry's Law Constant 0.00877 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 5.75E-11 cm3/molecule-sec 25 EXP

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