3,3,5-Trimethylcyclohexanol

3,3,5-Trimethylcyclohexanol
  • CAS No.:116-02-9
Other grades of this product :
3,3,5-Trimethylcyclohexanol Basic information
Product Name:3,3,5-Trimethylcyclohexanol
Synonyms:1-methyl-3-dimethylcyclohexanol-5;3,3,5-trimethyl;3,3,5-trimethyl-cyclohexano;3,3,5-Trimethylcyclohexanol (c,t);3,3,5-Trimethylcyclohexanol,c&t;3,3,5-trimethylcyclohexanol,mixtureofcisandtrans;dihydro-isophoro;Isophorol, dihydro-
CAS:116-02-9
MF:C9H18O
MW:142.24
EINECS:204-122-7
Product Categories:
Mol File:116-02-9.mol
3,3,5-Trimethylcyclohexanol Chemical Properties
Melting point 30-32 °C
Boiling point 193-196 °C
density 0.86
vapor pressure 1 hPa (50 °C)
FEMA 3962 | 3,5,5-TRIMETHYLCYCLOHEXANOL
refractive index 1.4559 (estimate)
Fp 81 °C
storage temp. Store below +30°C.
pka15.35±0.60(Predicted)
form powder to lump to clear liquid
color A translucent, colourless, fused mass or crystals with a powerful menthol-like odour
PH7 (1.8g/l, H2O, 20°C)
explosive limit1.5%(V)
Water Solubility 1.8 g/L (20 ºC)
JECFA Number1099
CAS DataBase Reference116-02-9(CAS DataBase Reference)
NIST Chemistry ReferenceCyclohexanol, 3,3,5-trimethyl-(116-02-9)
EPA Substance Registry SystemCyclohexanol, 3,3,5-trimethyl- (116-02-9)
Safety Information
Hazard Codes Xi
Risk Statements 36
Safety Statements 39-26
WGK Germany WGK 1 slightly water endangering
RTECS GW0875000
Autoignition Temperature375 °C DIN 51794
HS Code 2906 19 00
Hazardous Substances Data116-02-9(Hazardous Substances Data)
ToxicityLD50 orally in Rabbit: 3250 mg/kg LD50 dermal Rabbit 2430 mg/kg
MSDS Information
ProviderLanguage
ACROS English
3,3,5-Trimethylcyclohexanol Usage And Synthesis
Chemical PropertiesWHITE CRYSTALLINE MASS. Soluble in most organic solvents, hydrocarbons, oils; insoluble in water. Combustible.
Chemical Properties3,3,5-Trimethyl cyclohexanol has a menthol-like camphorous odor.
OccurrenceHas apparently not been reported to occur in nature.
UsesMenthol and camphor substitute, antifoaming agent, hydraulic fluids and textile soaps, odor masking, esterification agent, pharmaceuticals,wax additive, printing inks.
DefinitionChEBI: A secondary alcohol that is cyclohexanol substituted by two methyl groups at the 3-position and one methyl group at the 5-position. It exhibits inhibitory activity against HMG-CoA reductase ( EC 1.1.1.34/EC 1.1.1.88).
PreparationBy complete hydrogenation of isophorone (Arctander, 1969).
Synthesis Reference(s)Tetrahedron, 37, p. 1171, 1981 DOI: 10.1016/S0040-4020(01)92046-0
HazardToxic by inhalation, strong irritant.

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