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Substance Name: Cyclohexane, 1,1,3-trimethyl-
RN: 3073-66-3
InChIKey: PYOLJOJPIPCRDP-UHFFFAOYSA-N

Molecular Formula

  • C9-H18

Molecular Weight

  • 126.241
 
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Names and Synonyms

Synonyms

  • 1,1,3-Trimethylcyclohexane
  • 4-05-00-00137 (Beilstein Handbook Reference)
  • AI3-28795
  • BRN 1900451
  • Cyclogeraniolane
  • EINECS 221-347-6
  • NSC 73965

Systematic Names

  • 1,1,3-Trimethylcyclohexane
  • Cyclohexane, 1,1,3-trimethyl-

Registry Numbers

CAS Registry Number

  • 3073-66-3

System Generated Number

  • 0003073663

Structure Descriptors

InChI

1S/C9H18/c1-8-5-4-6-9(2,3)7-8/h8H,4-7H2,1-3H3

InChIKey

PYOLJOJPIPCRDP-UHFFFAOYSA-N

Smiles

C1C(CCC[C@@H]1C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04716,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.57E+01 deg C   EXP
Boiling Point 136.6 deg C   EXP
log P (octanol-water) 4.460 (none)   EST
Water Solubility 1.77 mg/L 25 EXP
Henry's Law Constant 0.597 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.73E-12 cm3/molecule-sec 25 EXP

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