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Substance Name: 1,2-Dimethylcyclohexane, trans-
RN: 6876-23-9
UNII: HKG4AHC8VR
InChIKey: KVZJLSYJROEPSQ-HTQZYQBOSA-N

Molecular Formula

  • C8-H16

Molecular Weight

  • 112.214
 
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Names and Synonyms

Name of Substance

  • 1,2-Dimethylcyclohexane, trans-

Synonyms

  • 1,trans-2-Dimethylcyclohexane
  • AI3-28850
  • EINECS 229-979-4
  • NSC 74158
  • UNII-HKG4AHC8VR

Systematic Names

  • Cyclohexane, 1,2-dimethyl-, (1R,2R)-rel-
  • Cyclohexane, 1,2-dimethyl-, trans- (8CI)(9CI)
  • trans-1,2-Dimethylcyclohexane

Registry Numbers

CAS Registry Number

  • 6876-23-9

FDA UNII

  • HKG4AHC8VR

System Generated Number

  • 0006876239

Structure Descriptors

InChI

1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1

InChIKey

KVZJLSYJROEPSQ-HTQZYQBOSA-N

Smiles

C1[C@H]([C@@H](CCC1)C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -9.00E+01 deg C   EXP
Boiling Point 123.5 deg C   EXP
log P (octanol-water) 4.010 (none)   EST
Water Solubility 5.2 mg/L 20 EXP
Vapor Pressure 19.4 mm Hg 25 EXP
Henry's Law Constant 0.543 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.19E-11 cm3/molecule-sec 25 EST

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