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

CAS No.：470-99-5

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This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
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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
Product Categories:
Mol File:	470-99-5.mol

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.)
Fp	176 °F
pka	14.74±0.60(Predicted)
BRN	1929064
InChIKey	LDRWAWZXDDBHTG-UHFFFAOYSA-N
CAS DataBase Reference	470-99-5
EPA Substance Registry System	2-Cyclohexen-1-ol, 3,5,5-trimethyl- (470-99-5)

Safety Information

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

MSDS Information

Provider	Language
ACROS	English
SigmaAldrich	English

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

Chemical Properties	clear colorless liquid
Synthesis Reference(s)	Journal of the American Chemical Society, 100, p. 2226, 1978 DOI: 10.1021/ja00475a040The 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.

3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-OL Preparation Products And Raw materials

Raw materials	(((3,5,5-trimethylcyclohex-2-en-1-yl)oxy)methyl)benzene-->(5R)-3,3,5-trimethylcyclohexan-1-one-->TRANS-3,3,5-TRIMETHYLCYCLOHEXANOL-->CIS-3,3,5-TRIMETHYLCYCLOHEXANOL-->3,3,5-Trimethylcyclohexanone-->3,3,5-Trimethylcyclohexanol-->Isophorone
Preparation Products	2,6-DIMETHYL-2,5-HEPTADIEN-4-ONE

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