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187828

Sigma-Aldrich

2-tert-Butylcyclohexanol, mixture of isomers

99%

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About This Item

Linear Formula:
(CH3)3CC6H10OH
CAS Number:
13491-79-7
Molecular Weight:
156.27
EC Number:
236-806-6
MDL number:
MFCD00001472
UNSPSC Code:
12352100
PubChem Substance ID:
24851286
NACRES:
NA.22
Pricing and availability is not currently available.

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

General description

2-tert-Butylcyclohexanol is the major metabolite of (+/-)-2-tert-butylcyclohexanone[1].

Application

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

Storage Class

11 - Combustible Solids

wgk_germany

WGK 2

flash_point_f

174.2 °F - closed cup

flash_point_c

79 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
08819MS
04431CZ
03427MR
26073

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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.
Radical polymerization behavior of 2-tert-butylcyclohexyl methacrylate.
Matsumoto A and Mizuta K.
Polym. Bull., 33(2), 141-148 (1994)

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