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Substance Name: 1,3-Diisopropylbenzene
RN: 99-62-7
UNII: 482VXW192E
InChIKey: UNEATYXSUBPPKP-UHFFFAOYSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C12-H18

Molecular Weight

  • 162.274
 
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Names and Synonyms

Name of Substance

  • 1,3-Diisopropylbenzene

Synonyms

  • 1,3-Bis(1-methylethyl)benzene
  • 1,3-Diisopropylbenzene
  • 4-05-00-01125 (Beilstein Handbook Reference)
  • AI3-08224
  • Benzene, 1,3-bis(1-methylethyl)-
  • Benzene, m-diisopropyl-
  • BRN 1905828
  • EC 202-773-1
  • EINECS 202-773-1
  • HSDB 5325
  • m-Diisopropylbenzene
  • m-Diisopropylbenzol
  • UNII-482VXW192E

Systematic Names

  • 1,3-Diisopropylbenzene
  • Benzene, 1,3-bis(1-methylethyl)-
  • Benzene, m-diisopropyl-

Superlist Name

  • Benzene, m-diisopropyl-

Registry Numbers

CAS Registry Number

  • 99-62-7

FDA UNII

  • 482VXW192E

System Generated Number

  • 0000099627

Structure Descriptors

InChI

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

InChIKey

UNEATYXSUBPPKP-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)C(C)C)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1650mg/kg (1650mg/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 oral 3100mg/kg (3100mg/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 3100mg/kg (3100mg/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 oral 7400mg/kg (7400mg/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.
rat LD50 unreported 8630mg/kg (8630mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: EXCITEMENT

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 -6.31E+01 deg C   EXP
Boiling Point 203.2 deg C   EXP
log P (octanol-water) 4.900 (none)   EST
Water Solubility 4.330 mg/L 25 EST
Vapor Pressure 0.393 mm Hg 25 EXP
Henry's Law Constant 0.020 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.55E-11 cm3/molecule-sec 25 EST

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