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Sigma-Aldrich

4-tert-Butylcyclohexyl acetate, mixture of cis and trans

99%

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About This Item

Linear Formula:
CH3CO2C6H10C(CH3)3
CAS Number:
32210-23-4
Molecular Weight:
198.30
EC Number:
250-954-9
MDL number:
MFCD00019354
UNSPSC Code:
12352100
PubChem Substance ID:
24861522
NACRES:
NA.22

Assay

99%

form

liquid

refractive index

n20/D 1.452 (lit.)

bp

228-230 °C/25 mmHg (lit.)

density

0.934 g/mL at 25 °C (lit.)

SMILES string

CC(=O)OC1CCC(CC1)C(C)(C)C

InChI

1S/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3

InChI key

MBZRJSQZCBXRGK-UHFFFAOYSA-N

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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.

Application

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).

Pictograms

Exclamation markEnvironment
GHS07,GHS09

Signal Word

Warning

Hazard Statements

H317,H411

Hazard Classifications

Aquatic Chronic 2 - Skin Sens. 1

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

219.2 °F - closed cup

Flash Point(C)

104 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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A Facile Stereoselective Biocatalytic Route to the Precursor of Woody Acetate.
Brown G, et al.
Organic Process Research & Development, 15(5), 1036-1039 (2011)
Aurapan Sansukcharearnpon et al.
International journal of pharmaceutics, 391(1-2), 267-273 (2010-02-23)
The six fragrances, camphor, citronellal, eucalyptol, limonene, menthol and 4-tert-butylcyclohexyl acetate, which represent different chemical functionalities, were encapsulated with a polymer-blend of ethylcellulose (EC), hydroxypropyl methylcellulose (HPMC) and poly(vinyl alcohol) (PV(OH)) using solvent displacement (ethanol displaced by water). The process
S P Bhatia et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 46 Suppl 12, S36-S41 (2008-10-10)
A toxicologic and dermatologic review of 4-tert-butylcyclohexyl acetate when used as a fragrance ingredient is presented.

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