4-tert-Butylcyclohexyl acetate

Synonym(s):4-tert-Butylcyclohexyl acetate, mixture of cis and trans;woody acetate

CAS NO.：32210-23-4
Empirical Formula: C12H22O2
Molecular Weight: 198.3
MDL number: MFCD00019354
EINECS: 250-954-9
SAFETY DATA SHEET (SDS)
Update Date: 2024-08-02 15:22:07

4-tert-Butylcyclohexyl acetate Structural

What is 4-tert-Butylcyclohexyl acetate?

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.

The Uses of 4-tert-Butylcyclohexyl acetate

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

Not classified

Trade name

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

Properties of 4-tert-Butylcyclohexyl acetate

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.)
Flash point:	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
Water Solubility	39.6mg/L at 20℃
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)

Safety information for 4-tert-Butylcyclohexyl acetate

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07 Environment GHS09
GHS Hazard Statements	H317:Sensitisation, Skin H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P272:Contaminated work clothing should not be allowed out of the workplace. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention.