88-41-5

Basic information

• Product Name: O-TERT-BUTYLCYCLOHEXYL ACETATE
• Synonyms: POMMELIONE;O-TERT-BUTYLCYCLOHEXYL ACETATE;ORTHO TERTIARY BUTYL CYCLOHEXANYL ACETATE;ORTHO T-BUTYL CYCLOHEXYL ACETATE;ORTHOLATE;VERDOX;1-acetoxy-2-tert-butylcyclohexane;2-(1,1-dimethylethyl)-cyclohexanoacetate
• CAS NO: 88-41-5
• Molecular Formula: C₁₂H₂₂O₂
• Molecular Weight: 198.3
• EINECS: 201-828-7
• Product Categories: Pharmaceutical Raw Materials;A-B;Alphabetical Listings;Flavors and Fragrances
• Mol File: 88-41-5.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 221 °C(lit.)
• Flash Point: >194 °F
• Appearance: /
• Density: 0.9590 (rough estimate)
• Vapor Pressure: 0.103mmHg at 25°C
• Refractive Index: 1.4720 (estimate)
• CAS DataBase Reference: O-TERT-BUTYLCYCLOHEXYL ACETATE(CAS DataBase Reference)
• NIST Chemistry Reference: O-TERT-BUTYLCYCLOHEXYL ACETATE(88-41-5)
• EPA Substance Registry System: O-TERT-BUTYLCYCLOHEXYL ACETATE(88-41-5)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 1
• RTECS: GV8962500
• Hazardous Substances Data: 88-41-5(Hazardous Substances Data)

Usage

Chemical Properties

O-TERT-BUTYLCYCLOHEXYL ACETATE exists in cis and trans forms. Pure 2-cistert- butylcyclohexyl acetate is a crystalline solid, with a fruity citrus odor. The commercial product is a colorless liquid and consists of a mixture of cis- and transisomers, which contains 60–95% of the cis-ester. With an increasing percentage of the trans-isomer, the odor becomes more woody and camphory. The acetate is prepared by esterification of 2-tert-butylcyclohexanol, which is obtained from 2-tert-butylphenol. It is highly stable and is used for perfuming soaps as well as bath and household products.

Uses

Verdox is used in preparation method of Sodium Bicarbonate injection.

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

Upstream product

• 5448-22-6 trans-2-tert-butylcyclohexan-1-ol 
• 108-24-7 acetic anhydride 
• 7214-18-8 cis-2-tert-butylcyclohexanol 
• 13491-79-7 2-tert-butylcyclohexan-1-ol 
• 141-78-6 ethyl acetate 
• 79-20-9 acetic acid methyl ester 
• 88-18-6 2-tert-Butylphenol 

Downstream Products

• 98104-30-4 trans 2-tert-butylcyclohexanol 
• 13492-07-4 (+)-(1S,2R)-2-(tert-butyl)cyclohexanol 
• 7214-18-8 cis-2-tert-butylcyclohexanol 

Relevant articles and documents

Synthesis method of o-tert-butyl cyclohexyl acetate essence

The invention discloses a synthesis method of o-tert-butyl cyclohexyl acetate essence, which includes the following steps: a) successively adding petroleum ether and phenol to a three-neck glass flask, and adding TiO2-supported phosphotungstic acid catalyst, dropwise adding tert-butyl alcohol at 10 - -15 DEG C, and layering a reaction liquid mixture, generated in the glass flask, of o-tert-butyl phenol and p-tert-butyl phenol; b) washing an oil layer successively with alkali and water, and performing a hydrogenation reaction under a Pd/C catalyst, collecting o-tert-butyl cyclohexanol, adding acetic anhydride and p-toluenesulfonic acid, recovering the acetic acid, and alkali-washing, water-washing and evaporating the oil layer to prepare the o-tert-butyl cyclohexyl acetate essence. The method employs easy-to-obtained raw materials and is high in yield, wherein final product content can reach more than 98.5% and content of cis-isomers in the product can reach more than 85%. The ssence has a pure and mellow fragrance and satisfies the demand of essence and perfumes in flavor blending.

trans-2-tert-Butylcyclohexanol, ein einfaches, selektivitaetsoptimiertes Cyclohexanol-Auxiliar

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