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Substance Name: 1,3-Diethylbenzene
RN: 141-93-5
UNII: ZM2X7I1G8Y
InChIKey: AFZZYIJIWUTJFO-UHFFFAOYSA-N

Molecular Formula

  • C10-H14

Molecular Weight

  • 134.221
 
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Names and Synonyms

Name of Substance

  • 1,3-Diethylbenzene

Synonyms

  • 1,3-Diethylbenzene
  • 4-05-00-01066 (Beilstein Handbook Reference)
  • Benzene, 1,3-diethyl-
  • Benzene, m-diethyl-
  • BRN 1903394
  • EINECS 205-511-4
  • HSDB 4082
  • m-Diethylbenzene
  • m-Ethylethylbenzene
  • NSC 62102
  • UNII-ZM2X7I1G8Y

Systematic Names

  • Benzene, 1,3-diethyl-
  • Benzene, m-diethyl-
  • m-Diethylbenzene

Superlist Names

  • Benzene, 1,3-diethyl-
  • m-Diethylbenzene

Registry Numbers

CAS Registry Number

  • 141-93-5

FDA UNII

  • ZM2X7I1G8Y

System Generated Number

  • 0000141935

Structure Descriptors

InChI

1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3

InChIKey

AFZZYIJIWUTJFO-UHFFFAOYSA-N

Smiles

c1c(cccc1CC)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
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 -8.39E+01 deg C   EXP
Boiling Point 181.1 deg C   EXP
log P (octanol-water) 4.57 (none)   EXP
Water Solubility 24 mg/L 25 EXP
Vapor Pressure 1.13 mm Hg 25 EXP
Henry's Law Constant 8.32E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.42E-11 cm3/molecule-sec 25 EST

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