4-tert-Butylcyclohexyl acetate

4-tert-Butylcyclohexyl acetate Basic information

Product Name:	4-tert-Butylcyclohexyl acetate
Synonyms:	(4-tert-Butylcyclohexyl)acetate,c&t;4-(1,1-dimethylethyl)-cyclohexanoacetate;4-butylcyclohexylacetate;4-t-Butylcyclohexyl acetate;PTBCHA;PARA TERTIARY BUTYL CYCLOHEXANYL ACETATE;PARA TERTIARY BUTYL CYCLOHEXANYL ACETATE HIGH CIS;VERTENEX
CAS:	32210-23-4
MF:	C12H22O2
MW:	198.3
EINECS:	250-954-9
Product Categories:	A-B;Alphabetical Listings;Flavors and Fragrances;Esters;Pharmaceutical Raw Materials;C12 to C63;Carbonyl Compounds
Mol File:	32210-23-4.mol

4-tert-Butylcyclohexyl acetate Chemical Properties

Boiling point	228-230 °C25 mm Hg(lit.)
density	0.934 g/mL at 25 °C(lit.)
vapor pressure	7.9Pa at 25℃
refractive index	n20/D 1.452(lit.)
Fp	212 °F
storage temp.	Store below +30°C.
solubility	<0.0396g/l insoluble
form	clear liquid
color	Colorless to Almost colorless
Odor	at 100.00 %. woody cedar floral oily herbal balsam green fruity
Odor Type	woody
Water Solubility	39.6mg/L at 20℃
Stability:	Stable. Flammable. Incompatible with strong oxidizing agents.
LogP	4.8 at 25℃
CAS DataBase Reference	32210-23-4(CAS DataBase Reference)
NIST Chemistry Reference	4-Tert-butylcyclohexyl acetate(32210-23-4)
EPA Substance Registry System	Cyclohexanol, 4-(1,1-dimethylethyl)-, acetate (32210-23-4)

Safety Information

Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26-37/39
WGK Germany	2
RTECS	AF7117000
HS Code	2915.39.9000

MSDS Information

Provider	Language
SigmaAldrich	English

4-tert-Butylcyclohexyl acetate Usage And Synthesis

Chemical Properties	4-tert-Butylcyclohexyl acetate exists in cis and trans forms.The trans-isomer has a rich, woody odor, while the odor of the cis-isomer is more intense and more floral. Considerable variations in cis–trans ratios in commercial mixtures have little effect on the physical constants. Therefore, the composition of mixtures should be determined by gas chromatography. The ester is prepared by catalytic hydrogenation of 4-tert-butylphenol followed by acetylation of the resulting 4-tert-butylcyclohexanol [291]. If Raney nickel is used as the catalyst, a high percentage of the trans-isomer is obtained. A rhodium–carbon catalyst yields a high percentage of the cis-isomer. The trans alcohol can be isomerized by alkaline catalysts; the cis-alcohol with a lower boiling point is then removed continuously fromthe mixture by distillation. 4-tert-Butylcyclohexyl acetate is used particularly in soap perfumes.
Uses	4-tert-Butylcyclohexyl acetate may be used in the preparation of high loading fragrance encapsulation based on polymer-blend of ethylcellulose, hydroxypropyl methylcellulose and poly(vinyl alcohol).
Definition	ChEBI: 4-tert-Butylcyclohexyl acetate is a carboxylic ester.
General Description	4-tert-Butylcyclohexyl acetate has been evaluated as a fragrance ingredient and its toxicologic and dermatological analysis has been reported. Cis and trans forms of 4-tert-butylcyclohexyl acetate are widely used as a perfume for cosmetics including soaps.
Flammability and Explosibility	Notclassified
Trade name	Lorysia® (Firmenich), Vertenex® (IFF).

4-tert-Butylcyclohexyl acetate Preparation Products And Raw materials

4-tert-Butylcyclohexyl acetate

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