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Substance Name: 3-Ethyltoluene
RN: 620-14-4
UNII: 737PTD7O7E
InChIKey: ZLCSFXXPPANWQY-UHFFFAOYSA-N

Molecular Formula

  • C9-H12

Molecular Weight

  • 120.194
 
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Names and Synonyms

Name of Substance

  • 3-Ethyltoluene

Synonyms

  • 1-Ethyl-3-methylbenzene
  • 1-Methyl-3-ethylbenzene
  • 3-Ethyltoluene
  • EINECS 210-626-8
  • m-Ethylmethylbenzene
  • m-Ethyltoluene
  • m-Methylethylbenzene
  • NSC 74176
  • UNII-737PTD7O7E

Systematic Names

  • 3-Ethyltoluene
  • Benzene, 1-ethyl-3-methyl-
  • Benzene, 1-ethyl-3-methyl- (9CI)
  • Toluene, m-ethyl- (8CI)

Registry Numbers

CAS Registry Number

  • 620-14-4

FDA UNII

  • 737PTD7O7E

System Generated Number

  • 0000620144

Structure Descriptors

InChI

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

InChIKey

ZLCSFXXPPANWQY-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)C)CC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -9.55E+01 deg C   EXP
Boiling Point 161.3 deg C   EXP
log P (octanol-water) 3.98 (none)   EXP
Water Solubility 40 mg/L 25 EST
Vapor Pressure 3.04 mm Hg 25 EXP
Henry's Law Constant 8.71E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.92E-11 cm3/molecule-sec 25 EXP

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