4-Tert-Butylcyclohexyl Acetate

Product Name:

4-tert-Butylcyclohexyl acetate

Synonyms:

4-t-Butylcyclohexylacetate;4-tert-butyl-cyclohexanoacetate;4-tert-butylcyclohexylacetate,mixtureofc;4-tert-Butylhexahydrophenyl acetate;4-tert-butylhexahydrophenylacetate;Acetic acid p-tert-butylcyclohexyl ester,c&t;Cyclohexanol, 4-(1,1-dimethylethyl)-, acetate;Cyclohexanol, 4-tert-butyl-, acetate

CAS:

32210-23-4

MF:

C12H22O2

MW:

198.3

EINECS:

250-954-9

Product Categories:

Esters;A-B;Pharmaceutical Raw Materials;C12 to C63;Alphabetical Listings;Flavors and Fragrances;Carbonyl Compounds

Mol File:

32210-23-4.mol

Boiling point 

228-230 °C25 mm Hg(lit.)

density 

0.934 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.452(lit.)

Fp 

212 °F

storage temp. 

Store below +30°C.

solubility 

<0.0396g/l insoluble

Stability:

Stable. Flammable. Incompatible with strong oxidizing agents.

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)

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-37/39

WGK Germany 

2

RTECS 

AF7117000

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.

Trade name

Lorysia® (Firmenich), Vertenex® (IFF).