CIS-3,3,5-TRIMETHYLCYCLOHEXANOL Chemical Properties

Melting point:

35-38 °C

Boiling point:

196.5 °C

Density 

0.8908 g/cm³ (25 ºC)

vapor pressure 

40Pa at 20℃

refractive index 

1.4542 (589.3 nm 20℃)

FEMA 

3962 | 3,5,5-TRIMETHYLCYCLOHEXANOL

Flash point:

88 °C

form 

powder to lump to clear liquid

pka

15.35±0.60(Predicted)

color 

White or Colorless to Almost white or Almost colorless

Odor

at 100.00%. minty

Water Solubility 

1.45g/L at 20℃

Cosmetics Ingredients Functions

PERFUMING

LogP

2.86 at 23℃

EPA Substance Registry System

cis-3,3,5-Trimethylcyclohexanol (933-48-2)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36

Safety Statements 

39-26

RTECS 

GW0876000

TSCA 

TSCA listed

HS Code 

2906.19.5000

MSDS

• Language:English Provider:ACROS

CIS-3,3,5-TRIMETHYLCYCLOHEXANOL Usage And Synthesis

Uses

cis-3,3,5-trimethylcyclohexanol (cis-3,3,5-trimethylcyclohexanol) is used as a cyclomandelate drug intermediate in laboratory research and development and in chemical and pharmaceutical synthesis.

Chemical Properties

WHITE CRYSTALLINE MASS

Synthesis

A method for the synthesis of cis-3,3,5-trimethylcyclohexanol (cis-3,3,5-trimethylcyclohexanal), a pharmaceutical intermediate of cyclobenzolate, was carried out according to the following steps: A. To a reaction vessel was added 1,5,5-trimethylcyclohexen-3-one (2) 0.51 mol, 600 ml of a solution of 2-amino-5-chlorobenzoic acid with a mass fraction of 37%, the temperature of the solution was lowered to 0C, and the stirring speed was controlled at 110 rpm; B, slowly add lithium powder 1.38mol, adding time control at 120min, after adding continue to react for 90min, and then slowly raise the temperature to 16 , the heating process control at 50min; C, solution concentration under reduced pressure, the concentrate was added to 230ml of potassium bromide solution with a mass fraction of 28%, add 100ml of oxalic acid solution with a mass fraction of 38%, dimethylamine solution with a mass fraction of 57% was extracted for 7 times, the extracts were combined, washed sequentially with ethyl acetate solution with a mass fraction of 48%, butanone solution with a mass fraction of 60%, dewatered with calcium chloride dewatering agent. 1.7 kPa distillation under reduced pressure, the fraction at 80-86 C was collected and recrystallized in 88% mass fraction of cyclohexane solution to obtain crystalline cis-3,3,5-trimethylcyclohexanol (cis-3,3,5-trimethylcyclohexanal) 64.45 g, yield 89%.

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