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2-tert-Butylcyclohexanone

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2-tert-Butylcyclohexanone Basic information
Uses
Product Name:2-tert-Butylcyclohexanone
Synonyms:ORTHO TERTIARY BUTYL CYCLOHEXANONE;O-TERT-BUTYLCYCLOHEXANONE;2-(1,1-dimethylethyl)-cyclohexanon;2-(1,1-dimethylethyl)-Cyclohexanone;2-t-Butylcyclohexanone;Cyclohexanone, 2-(1,1-dimethylethyl)-;2-ter-Butyl-cyclohexanone;2-tert-Butylcyclohexanone 97%
CAS:1728-46-7
MF:C10H18O
MW:154.25
EINECS:217-043-8
Product Categories:C10;Carbonyl Compounds;Ketones
Mol File:1728-46-7.mol
2-tert-Butylcyclohexanone Structure
2-tert-Butylcyclohexanone Chemical Properties
Melting point 38.55°C
Boiling point 62.5 °C4 mm Hg(lit.)
density 0.896 g/mL at 25 °C(lit.)
refractive index n20/D 1.457(lit.)
Fp 162 °F
storage temp. 2-8°C
form liquid
color Colourless
Odorat 10.00 % in dipropylene glycol. powerful woody camphor orris minty
Odor Typewoody
BRN 2041417
Cosmetics Ingredients FunctionsPERFUMING
LogP2.630 (est)
CAS DataBase Reference1728-46-7(CAS DataBase Reference)
EPA Substance Registry SystemCyclohexanone, 2-(1,1-dimethylethyl)- (1728-46-7)
Safety Information
Hazard Codes Xi
Safety Statements 23-24/25
WGK Germany 1
Hazard Note Irritant
TSCA TSCA listed
HS Code 2914290090
MSDS Information
ProviderLanguage
SigmaAldrich English
ALFA English
2-tert-Butylcyclohexanone Usage And Synthesis
Uses2-tert-butylhexane, also known as o-tert-butylcyclohexanone, is a synthetic fragrance with a woody and camphor-like aroma. It is widely used in the food and cosmetics industries and is also an important intermediate, for example, it can be used to synthesize fragrances such as 2-hydroxy-2-acetyl-6-tert-butylcyclohexanone.
Description 2-Tert-butylcyclohexanone, although of very limited application in perfumery, can be used with some advantage in soap and detergent fragrances to increase the power and introduce more “lift” to the perfume. This is particularly noticeable in functional products in hot water (detergents, etc.). The effect of Verdone is apparently enhanced by heat and steam since the material is quite volatile with steam, and it also sublimes when heated. It was produced by hydrogenation of ortho-terriary-Butylphenol.
Chemical Propertiesclear colorless to light yellow-greenish liquid. Insoluble in water, soluble in alcohol and oils.
Synthesis Reference(s)Journal of the American Chemical Society, 107, p. 4679, 1985 DOI: 10.1021/ja00302a014
Synthesis, p. 456, 1976 DOI: 10.1055/s-1976-24079
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