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Substance Name: 1,2-Diisopropylbenzene
RN: 577-55-9
UNII: 6E5460R9HG
InChIKey: OKIRBHVFJGXOIS-UHFFFAOYSA-N

Molecular Formula

  • C12-H18

Molecular Weight

  • 162.274
 
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Names and Synonyms

Name of Substance

  • 1,2-Diisopropylbenzene

Synonyms

  • 1,2-Diisopropylbenzene
  • 4-05-00-01125 (Beilstein Handbook Reference)
  • BRN 2040995
  • EINECS 209-412-7
  • HSDB 6773
  • o-Diisopropylbenzene
  • UNII-6E5460R9HG

Systematic Names

  • 1,2-Bis(1-methylethyl)benzene
  • Benzene, 1,2-bis(1-methylethyl)-
  • Benzene, o-diisopropyl-

Registry Numbers

CAS Registry Number

  • 577-55-9

FDA UNII

  • 6E5460R9HG

System Generated Number

  • 0000577559

Structure Descriptors

InChI

1S/C12H18/c1-9(2)11-7-5-6-8-12(11)10(3)4/h5-10H,1-4H3

InChIKey

OKIRBHVFJGXOIS-UHFFFAOYSA-N

Smiles

c1(c(cccc1)C(C)C)C(C)C

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 -5.70E+01 deg C   EXP
Boiling Point 204 deg C   EXP
log P (octanol-water) 4.900 (none)   EST
Water Solubility 4.330 mg/L 25 EST
Henry's Law Constant 0.020 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.01E-11 cm3/molecule-sec 25 EST

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