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(4-phenylcyclohexyl) acetate, also known as PCHCA, is a chemical compound that serves as a versatile intermediate in the synthesis of pharmaceuticals, fragrances, and flavorings. It is characterized by its clear, colorless liquid form and a slightly sweet, floral scent.

5445-95-4

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5445-95-4 Usage

Uses

Used in Pharmaceutical Industry:
(4-phenylcyclohexyl) acetate is used as a chemical intermediate for the production of various pharmaceutical products, including synthetic musks and other aromatic compounds. Its role in this industry is crucial for creating a wide range of medications and enhancing their efficacy.
Used in Fragrance Industry:
(4-phenylcyclohexyl) acetate is used as a key ingredient in the creation of fragrances, capitalizing on its slightly sweet, floral odor to contribute to the overall scent profile of various perfumes and scented products.
Used in Flavoring Industry:
(4-phenylcyclohexyl) acetate is used as a flavoring agent in food and beverages, providing a subtle sweetness and floral note to enhance the taste and aroma of consumable products.
Used as a Solvent:
(4-phenylcyclohexyl) acetate is utilized as a solvent for a variety of substances, taking advantage of its ability to dissolve different materials and facilitate various chemical reactions.
Safety Precautions:
It is important to handle (4-phenylcyclohexyl) acetate with care, as it can be harmful if swallowed, inhaled, or comes into contact with the skin. Additionally, it should be stored in a cool, dry place away from direct sunlight and heat to prevent degradation.

Check Digit Verification of cas no

The CAS Registry Mumber 5445-95-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,4,4 and 5 respectively; the second part has 2 digits, 9 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 5445-95:
(6*5)+(5*4)+(4*4)+(3*5)+(2*9)+(1*5)=104
104 % 10 = 4
So 5445-95-4 is a valid CAS Registry Number.
InChI:InChI=1/C14H18O2/c1-11(15)16-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-6,13-14H,7-10H2,1H3

5445-95-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name (4-phenylcyclohexyl) acetate

1.2 Other means of identification

Product number -
Other names trans-4-Phenylcyclohexylacetat

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5445-95-4 SDS

5445-95-4Relevant academic research and scientific papers

Improved Process for the Palladium-Catalyzed C-O Cross-Coupling of Secondary Alcohols

Zhang, Hong,Ruiz-Castillo, Paula,Schuppe, Alexander W.,Buchwald, Stephen L.

supporting information, p. 5369 - 5374 (2020/07/14)

An improved protocol for the Pd-catalyzed C-O cross-coupling of secondary alcohols is described. The use of biaryl phosphine L2 as the ligand was key to achieving efficient cross-coupling of (hetero)aryl chlorides with only a 20percent molar excess of the alcohol. Additionally, we observed an unusual reactivity difference between an electron-rich aryl bromide and the analogous aryl chloride, and deuterium-labeling suggested that currently unidentified pathways for reduction play an important role in explaining this disparity.

Iron-catalysed cross-coupling of halohydrins with aryl aluminium reagents: A protecting-group-free strategy attaining remarkable rate enhancement and diastereoinduction

Kawamura, Shintaro,Kawabata, Tatsuya,Ishizuka, Kentaro,Nakamura, Masaharu

supporting information; experimental part, p. 9376 - 9378 (2012/09/22)

Non-protected halohydrins are cross-coupled with aryl aluminium reagents to produce aryl alkanols in the presence of the iron-bisphosphine catalysts. Remarkable reaction rate enhancement and diastereoinduction are realized by the in situ generated aluminium alkoxides, offering a new method for the reactivity and selectivity control of the iron-catalysed cross-coupling reaction.

One-pot sequence for reductive-acetylation of carbonyl compounds with (N-methylimidazole)(tetrahydroborato)zinc complex

Setamdideh, Davood,Khezri, Behrooz

experimental part, p. 5766 - 5772 (2012/07/28)

Reductive-acetylation of variety of aliphatic and aromatic aldehydes and ketones, α,β-unsaturated carbonyl compounds are examined efficiently with (N-methylimidazole)(tetrahydroborato)zinc complex, [Zn(BH4) 2(nmi)], under mild condition in THF at room temperature or reflux conditions. The corresponding acetates were obtained in excellent yields (90-98 %).

A facile and efficient one-step conversion of alcohol triphenylmethyl ethers to the corresponding acetates

Kobayashi, Kumiko,Watahiki, Tsutomu,Oriyama, Takeshi

, p. 484 - 486 (2007/10/03)

Alcohol triphenylmethyl (trityl) ethers were readily and efficiently transformed into the corresponding acetates by reaction with acetyl bromide. Triphenylmethyl ethers can also be transformed into the corresponding substituted acetates in high yields by the use of various substituted acetyl chlorides combined with sodium iodide.

O-acyl-4-phenyl-cyclohexanols, their salts, medicaments containing such compounds, and their use, as well as a method of preparing them

-

, (2008/06/13)

Compounds that inhibit the enzyme 2,3-epoxysqualene-lanosterol-cyclase and cholesterol biosynthesis, of the formula I STR1 wherein n denotes the number 0 or 1, m denotes the number 1 or 2, p denotes the number 0 or 1, R1 and R2 each denote hydrogen, lower alkyl, alkenyl or alkynyl, which may optionally also be substituted, or together with the nitrogen atom between the denote 5- to 7-membered saturated, monocyclic or heterocyclic rings which may optionally also be interrupted by an oxygen or sulfur atom or by an imino group, R3, R4, R5 and R6 denote hydrogen or lower alkyl, R5 additionally denotes lower alkoxy, R7 denotes hydrogen, cycloalkyl, phenyl or substituted phenyl, naphthyl, tetrahydronaphthyl, thienyl, furyl or pyridyl and A denotes a chemical bond or alkyl, alkenyl having up to 17 carbon atoms.

O-acyl-4-phenyl-cyclohexanols, their salts, medicaments containing such compounds and their use, as well as a method of preparing them

-

, (2008/06/13)

This document describes O-acyl-4-phenyl-cycloalkanols of general formula I STR1 wherein n denotes the number 0 or 1, m denotes the number 1 or 2, p denotes the number 0 or 1, R1 and R2 each denote hydrogen, lower alkyl, alkenyl or alkynyl, which may optionally also be substituted, or together with the nitrogen atom between them denote 5- to 7-membered saturated, monocyclic, heterocyclic rings which may optionally also be interrupted by an oxygen or sulphur atom or by an imino group, R3, R4, R5 and R6 denote hydrogen or lower alkyl, R5 additionally denotes lower alkoxy, R7 denotes hydrogen, cycloalkyl, phenyl or substituted phenyl, naphthyl, tetrahydronaphthyl, thienyl, furyl or pyridyl and A denotes a chemical bond or alkyl, alkenyl or alkynyl having up to 17 carbon atoms, and also processes for preparing them, pharmaceutical compositions containing these compounds and the use of these pharmaceutical compositions which intervene in cholesterol biosynthesis. The antihypercholesterolaemic substances can be used for the treatment and prophylaxis of atherosclerosis; they inhibit the enzyme 2,3-epoxysqualene-lanosterol-cyclase.

A One-step and Chemoselective Conversion of Silyl-protected Alcohols into the Corresponding Acetates

Oriyama, Takeshi,Oda, Mihoko,Gono, Junko,Koga, Gen

, p. 2027 - 2030 (2007/10/02)

A reagent system of acetyl bromide combined with a catalytic amount of tin(II) bromide cleaves readily trialkylsilyl ethers to give the corresponding acetates in high yields under very mild conditions.

LIQUID-CRYSTALLINE COMPOUNDS OF THE ALICYCLIC SERIES III. SYNTHESIS AND ISOMORPHISM OF ETHERS AND ESTERS CONTAINING THE PHENYLCYCLOHEXANE FRAGMENT

Karamysheva, L. A.,Torgova, S. I.,Agafonova, I. F.,Geivandov, R. Kh.,Bykova, V. V.,Burylin, P. A.

, p. 736 - 741 (2007/10/02)

A series of ethers and esters exhibiting mesomorphous characteristics were obtained from para-X-substituted trans-4-phenylcyclohexanols, trans-4-phenylcyclohexanecarboxylic acids (X = H, F, I, NO2, NH2, CN) and trans-1-hydroxymethyl-4-(p-cyanophenyl)cyclohexane.

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