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Substance Name: 1,4-Diisopropylbenzene
RN: 100-18-5
UNII: 5M62031NZP
InChIKey: SPPWGCYEYAMHDT-UHFFFAOYSA-N

Molecular Formula

  • C12-H18

Molecular Weight

  • 162.274
 
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Names and Synonyms

Name of Substance

  • 1,4-Diisopropylbenzene

Synonyms

  • 1,4-Bis(1-methylethyl)benzene
  • 1,4-Diisopropylbenzene
  • 4-05-00-01126 (Beilstein Handbook Reference)
  • Benzene, 1,4-bis(1-methylethyl)-
  • Benzene, p-diisopropyl-
  • BRN 1854739
  • EC 202-826-9
  • EINECS 202-826-9
  • HSDB 5331
  • NSC 84198
  • p-Diisopropylbenzene
  • p-Diisopropylbenzol
  • para-Diisopropylbenzene
  • UNII-5M62031NZP

Systematic Names

  • 1,4-Diisopropylbenzene
  • Benzene, 1,4-bis(1-methylethyl)-
  • Benzene, p-diisopropyl-

Superlist Name

  • Benzene, p-diisopropyl-

Registry Numbers

CAS Registry Number

  • 100-18-5

FDA UNII

  • 5M62031NZP

System Generated Number

  • 0000100185

Structure Descriptors

InChI

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

InChIKey

SPPWGCYEYAMHDT-UHFFFAOYSA-N

Smiles

c1(C(C)C)ccc(C(C)C)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1650mg/kg (1650mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 14(2), Pg. 41, 1970.
mouse LD50 oral 3400mg/kg (3400mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 54, 1982.
mouse LD50 unreported 7980mg/kg (7980mg/kg) BEHAVIORAL: EXCITEMENT

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: TREMOR
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(9), Pg. 18, 1971.
rat LD50 unreported 11540mg/kg (11540mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: TREMOR

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(9), Pg. 18, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.70E+01 deg C   EXP
Boiling Point 210.3 deg C   EXP
log P (octanol-water) 4.900 (none)   EST
Water Solubility 4.330 mg/L 25 EST
Vapor Pressure 0.246 mm Hg 25 EXP
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.