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Substance Name: o-Ethyltoluene
RN: 611-14-3
UNII: DBX00873SV
InChIKey: HYFLWBNQFMXCPA-UHFFFAOYSA-N

Molecular Formula

  • C9-H12

Molecular Weight

  • 120.194
 
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Names and Synonyms

Name of Substance

  • o-Ethyltoluene

Synonyms

  • 1-Ethyl-2-methylbenzene
  • 1-Methyl-2-ethylbenzene
  • 2-Ethyltoluene
  • 4-05-00-00999 (Beilstein Handbook Reference)
  • AI3-28773
  • BRN 1851237
  • EINECS 210-255-1
  • NSC 405731
  • o-Ethyl methyl benzene
  • o-Ethyl methylbenzene
  • o-Ethyltoluene
  • o-Methylethylbenzene
  • UNII-DBX00873SV

Systematic Names

  • 2-Ethyltoluene
  • Benzene, 1-ethyl-2-methyl-
  • Toluene, o-ethyl-

Superlist Names

  • 1-Ethyl-2-methylbenzene
  • 1-Methyl-2-ethylbenzene

Registry Numbers

CAS Registry Number

  • 611-14-3

FDA UNII

  • DBX00873SV

System Generated Number

  • 0000611143

Structure Descriptors

InChI

1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3

InChIKey

HYFLWBNQFMXCPA-UHFFFAOYSA-N

Smiles

c1(c(cccc1)C)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LC50 inhalation 50gm/m3/2H (50000mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 69, 1982.
mouse LC50 inhalation 54gm/m3/4H (54000mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 69, 1982.
rat LDLo oral 5gm/kg (5000mg/kg)   "Toxicology and Biochemistry of Aromatic Hydrocarbons," Gerarde, H., New York, Elsevier, 1960Vol. -, Pg. 57, 1960.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.08E+01 deg C   EXP
Boiling Point 165.2 deg C   EXP
log P (octanol-water) 3.53 (none)   EXP
Water Solubility 74.6 mg/L 25 EXP
Vapor Pressure 2.61 mm Hg 25 EXP
Henry's Law Constant 5.53E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.23E-11 cm3/molecule-sec 25 EXP

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