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Substance Name: 3,3,5-Trimethylcyclohexanol, cis-(+/-)-
RN: 933-48-2
UNII: 3T046ESA4Q
InChIKey: BRRVXFOKWJKTGG-SFYZADRCSA-N

Molecular Formula

  • C9-H18-O

Molecular Weight

  • 142.24
 
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Names and Synonyms

Name of Substance

  • 3,3,5-Trimethylcyclohexanol, cis-(+/-)-

Synonyms

  • 4-06-00-00135 (Beilstein Handbook Reference)
  • BRN 3193947
  • cis-3,3,5-Trimethylcyclohexanol
  • EC 213-268-0
  • EINECS 213-268-0
  • UNII-3T046ESA4Q

Systematic Names

  • cis-3,5,5-Trimethylcyclohexan-1-ol
  • Cyclohexanol, 3,3,5-trimethyl-, (1R,5R)-rel-
  • Cyclohexanol, 3,3,5-trimethyl-, cis-

Registry Numbers

CAS Registry Number

  • 933-48-2

FDA UNII

  • 3T046ESA4Q

Other Registry Number

  • 54307-79-8

System Generated Number

  • 0000933482

Structure Descriptors

InChI

InChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3/t7-,8+/m1/s1

InChIKey

BRRVXFOKWJKTGG-SFYZADRCSA-N

Smiles

C[C@@H]1C[C@H](O)CC(C)(C)C1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2400mg/kg (2400mg/kg)   German Patent Document. Vol. #2757641,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 37.3 deg C   EXP
Boiling Point 202 deg C   EXP
log P (octanol-water) 2.930 (none)   EST
Atmospheric OH Rate Constant 1.81E-11 cm3/molecule-sec 25 EST

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