36613-93-1

Basic information

• Product Name: methyl 2-cyclohexylbutanoate
• Synonyms: Cyclohexaneacetic acid, .alpha.-ethyl-, methyl ester; Cyclohexaneacetic acid, alpha-ethyl-, methyl ester
• CAS NO: 36613-93-1
• Molecular Formula: C₁₁H₂₀O₂
• Molecular Weight: 184.2753
• Mol File: 36613-93-1.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 220.6°C at 760 mmHg
• Flash Point: 83.7°C
• Density: 0.944g/cm³
• Vapor Pressure: 0.112mmHg at 25°C
• Refractive Index: 1.451
• CAS DataBase Reference: methyl 2-cyclohexylbutanoate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 2-cyclohexylbutanoate(36613-93-1)
• EPA Substance Registry System: methyl 2-cyclohexylbutanoate(36613-93-1)

Safety Data

• Hazardous Substances Data: 36613-93-1(Hazardous Substances Data)

Usage

General Description

Methyl 2-cyclohexylbutanoate is an organic compound formed by the esterification of butyric acid and cyclohexanol. It is a clear, colorless liquid with a sweet, fruity odor, often used as a flavoring agent in the food and beverage industry. This chemical is also utilized in the production of perfumes and fragrances. Methyl 2-cyclohexylbutanoate is considered to be safe for consumption and is commonly found in various food products such as candies, baked goods, and beverages. Additionally, its pleasant scent makes it a popular choice for use in personal care and household products.

Upstream product

• 14352-61-5 methyl cyclohexylacetate 
• 75-03-6 ethyl iodide 
• 5292-21-7 Cyclohexylacetic acid 
• 623-43-8 crotonic acid methyl ester 
• 110-82-7 cyclohexane 
• 67-56-1 methanol 
• 6051-00-9 2-cyclohexyl-butyric acid 

Downstream Products

• 592509-73-4 6-cyclohexyl-3-oxo-2-(triphenyl-λ⁵-phosphanylidene)-octanenitrile 
• 592509-62-1 5-cyclohexyl-2-oxo-heptanoic acid methyl ester 
• 592509-72-3 4-cyclohexyl-hexanoic acid ethyl ester 
• 6293-41-0 4-cyclohexyl-hexanoic acid 
• 33856-70-1 2-Cyclohexyl-butanal 
• 33204-52-3 α-Aethyl-cyclohexanaethanol 
• 36588-65-5 C₂₂H₂₆O₂ 

Relevant articles and documents

Investigation on the regioselectivities of intramolecular oxidation of unactivated C-H bonds by dioxiranes generated in Situ

We found that dioxiranes generated in situ from ketones 1-6 and Oxone underwent intramolecular oxidation of unactivated C-H bonds at δ sites of ketones to yield tetrahydropyrans. From the trans/cis ratio of oxidation products 1a and 2a as well as the retention of the configuration at the δ site of ketone 5, we proposed that the oxidation reaction proceeds through a concerted pathway under a spiro transition state. The intramolecular oxidation of ketone 6 showed the preference for a tertiary δ C-H bond over a secondary one. This intramolecular oxidation method can be extended to the oxidation of the tertiary γ′ C-H bond of ketones 9 and 10. For ketone 11 with two δ C-H bonds and one γ′ C-H bond linked respectively by a sp3 hydrocarbon tether and a sp2 ester tether, the oxidation took place exclusively at the δ C-H bonds. Finally, by introducing proper tethers, regioselective hydroxylation of steroid ketones 12-14 have been achieved at the C-17, C-16, C-3, and C-5 positions.

HOCHDRUCK-HOCHTEMPERATUR-REAKTIONEN IN EINEM STROEMUNGSREAKTOR-VI. THERMISCHE ADDITION VON ALKANEN AN ALKENE

The thermal Anti-Markownikow-addition of alkanes to activated and desactivated alkenes ("direkte substituierende Addition", "Ane-reaction") at 650-723 K and reaction times of 1-10 min. is described.