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187828

2-tert-Butylcyclohexanol, mixture of isomers

Name: 2-<I>tert</I>-Butylcyclohexanol, mixture of isomers
Brand: ALDRICH

99%

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About This Item

Linear Formula:

(CH₃)₃CC₆H₁₀OH

CAS Number:

13491-79-7

Molecular Weight:

156.27

NACRES:

NA.22

PubChem Substance ID:

24851286

UNSPSC Code:

12352100

EC Number:

236-806-6

MDL number:

MFCD00001472

Assay:

99%

Form:

solid

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Properties

Quality Level

100

assay

99%

form

solid

mp

43-46 °C (lit.)

density

0.902 g/mL at 25 °C (lit.)

functional group

hydroxyl

SMILES string

CC(C)(C)C1CCCCC1O

InChI

1S/C10H20O/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3

InChI key

DLTWBMHADAJAAZ-UHFFFAOYSA-N

Description

General description

2-tert-Butylcyclohexanol is the major metabolite of (+/-)-2-tert-butylcyclohexanone.

Application

2-tert-Butylcyclohexanol was used in the synthesis of 2-tert-butylcyclohexyl methacrylate via reaction with methacryloyl chloride in the presence of triethylamine.

Storage Class

11 - Combustible Solids

wgk

WGK 2

flash_point_f

174.2 °F - closed cup

flash_point_c

79 °C - closed cup

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Radical polymerization behavior of 2-tert-butylcyclohexyl methacrylate.

Matsumoto A and Mizuta K.

Polym. Bull., 33(2), 141-148 (1994)

The metabolism of the isomeric tert.-butylcyclohexanones.

K L Cheo et al.

The Biochemical journal, 104(1), 198-204 (1967-07-01)

1. (+/-)-2-, (+/-)-3- and 4-tert.-Butylcyclohexanone are reduced in the rabbit to secondary alcohols, which are excreted extensively conjugated with glucuronic acid. 2. The major metabolite of (+/-)-2-tert.-butylcyclohexanone is (+)-cis-2-tert.-butylcyclohexanol, which has been isolated from the urine as [(+)-cis-2-tert.-butylcyclohexyl beta-d-glucosid]uronic acid.

Global Trade Item Number

SKU	GTIN
187828-100G	04061832279114