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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) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

PERIPHERAL NERVE AND SENSATION: SENSORY CHANGE INVOLVING PERIPHERAL NERVE

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