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Substance Name: o-Cymene
RN: 527-84-4
UNII: 2T13HF3266
InChIKey: WWRCMNKATXZARA-UHFFFAOYSA-N

Molecular Formula

  • C10-H14

Molecular Weight

  • 134.2206
 
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Names and Synonyms

Name of Substance

  • 1-Methyl-2-isopropylbenzene
  • o-Cymene

Synonyms

  • 1-Isopropyl-2-methylbenzene
  • 1-Methyl-2-(1-methylethyl)benzene
  • 1-Methyl-2-isopropylbenzene
  • 1-Methyl-2-isopropylbenzol
  • 2-Isopropyltoluene
  • 4-05-00-01057 (Beilstein Handbook Reference)
  • Benzene, 1-methyl-2-(1-methylethyl)-
  • BRN 1850838
  • CYMENE, ORTHO
  • EINECS 208-426-0
  • HSDB 3427
  • NSC 73976
  • o-Cymene
  • o-Cymol
  • o-Isopropyltoluene
  • UNII-2T13HF3266

Systematic Names

  • Benzene, 1-methyl-2-(1-methylethyl)-
  • o-Cymene

Superlist Names

  • o-Cymene [UN2046] [Flammable liquid]
  • UN2046

Registry Numbers

CAS Registry Number

  • 527-84-4

FDA UNII

  • 2T13HF3266

System Generated Number

  • 0000527844

Structure Descriptors

InChI

1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3

InChIKey

WWRCMNKATXZARA-UHFFFAOYSA-N

Smiles

Cc1ccccc1C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 10300mg/m3 (10300mg/m3) CARDIAC: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(3), Pg. 49, 1985.
mouse LD50 intraperitoneal 1315mg/kg (1315mg/kg) CARDIAC: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(3), Pg. 49, 1985.
mouse LD50 oral 2024mg/kg (2024mg/kg) CARDIAC: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(3), Pg. 49, 1985.
rat LD50 oral 2130mg/kg (2130mg/kg) CARDIAC: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(3), Pg. 49, 1985.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.15E+01 deg C   EXP
Boiling Point 178.1 deg C   EXP
log P (octanol-water) 4.38 (none)   EXP
Water Solubility 23.3 mg/L 25 EXP
Vapor Pressure 1.5 mm Hg 25 EXP
Henry's Law Constant 0.011 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.54E-12 cm3/molecule-sec 25 EST

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