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347736

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:
Molecular Weight:
198.30
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
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

Signal Word

Warning

Hazard Statements

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PRTR

Class I Designated Chemical Substances

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

347736-25G:
347736-VAR:
347736-BULK:


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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