Basic information Safety Supplier Related

3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-OL

Basic information Safety Supplier Related

3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-OL Basic information

Product Name:
3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-OL
Synonyms:
  • ISOPHOROL
  • 3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-OL
  • AKOS 50
  • 3,5,5-trimethyl-2-cyclohexen-1-o
  • 1,5,5-Trimethylcyclohexene-3-ol
  • 3,5,5-Trimethyl-2-cyclohexen-1-ol,95%
  • 3,5,5-triMethylcyclohex-2-enol
  • 3,5,5-trimethylcyclohex-2-en-1-ol
CAS:
470-99-5
MF:
C9H16O
MW:
140.22
EINECS:
207-433-6
Mol File:
470-99-5.mol
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3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-OL Chemical Properties

Boiling point:
79.5-81.5 °C8 mm Hg(lit.)
Density 
0.918 g/mL at 25 °C(lit.)
refractive index 
n20/D 1.472(lit.)
Flash point:
176 °F
pka
14.74±0.60(Predicted)
BRN 
1929064
InChIKey
LDRWAWZXDDBHTG-UHFFFAOYSA-N
LogP
2.436 (est)
CAS DataBase Reference
470-99-5
EPA Substance Registry System
2-Cyclohexen-1-ol, 3,5,5-trimethyl- (470-99-5)
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Safety Information

Safety Statements 
23-24/25
WGK Germany 
3
HS Code 
29061990

MSDS

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3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-OL Usage And Synthesis

Chemical Properties

clear colorless liquid

Uses

This alcohol has found a little use in perfume compositions, mainly in Honey-bases as a modifier and powerful ingredient. It blends excellently with Phenylacetic acid and its esters, with Mimosa, Labdanum and the conventional Acetophenone-derivatives, and it is, incidentally, very interesting in YlangYlang.

Synthesis Reference(s)

Journal of the American Chemical Society, 100, p. 2226, 1978 DOI: 10.1021/ja00475a040
The Journal of Organic Chemistry, 47, p. 3311, 1982 DOI: 10.1021/jo00138a021

General Description

3,5,5-Trimethyl-2-cyclohexen-1-ol undergoes oxidation in the presence of palladium on activated charcoal under an ethylene atmosphere to yield the corresponding carbonyl compound.

Synthesis

3,5,5-Trimethyl-2-cyclohexen-1-ol is prepared (several methods) e. g. from isoPhorone by controlled hydrogenation. It has also been prepared from 3,3-Dimethyl cyclohexanol.

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