53004-93-6

Basic information

• Product Name: 2-(isopropyl)-5-methylcyclohexyl 2-methylbutyrate
• Synonyms: 2-(isopropyl)-5-methylcyclohexyl 2-methylbutyrate;2-Methylbutyric acid 5-methyl-2-(1-methylethyl)cyclohexyl ester;Butanoic acid, 2-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester;Einecs 258-291-7
• CAS NO: 53004-93-6
• Molecular Formula: C₁₅H₂₈O₂
• Molecular Weight: 240.38162
• EINECS: 258-291-7
• Mol File: 53004-93-6.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 269.5°Cat760mmHg
• Flash Point: 124.1°C
• Appearance: /
• Density: 0.91g/cm³
• Vapor Pressure: 0.00724mmHg at 25°C
• Refractive Index: 1.452
• CAS DataBase Reference: 2-(isopropyl)-5-methylcyclohexyl 2-methylbutyrate(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(isopropyl)-5-methylcyclohexyl 2-methylbutyrate(53004-93-6)
• EPA Substance Registry System: 2-(isopropyl)-5-methylcyclohexyl 2-methylbutyrate(53004-93-6)

Safety Data

• Hazardous Substances Data: 53004-93-6(Hazardous Substances Data)

Usage

Usage

Fragrance and flavor industry
Primarily used in the creation of scents and flavors for various products.

Type

Synthetic ester
A human-made compound formed from the reaction between an acid and an alcohol.

Derivation

Isopropyl alcohol and 2-methylbutyric acid
Obtained through the chemical reaction of these two starting materials.

Structure

Cyclohexyl ring with methyl and isopropyl substituents
Consists of a six-membered carbon ring with attached methyl (CH3) and isopropyl (CH3CH2) groups.

Scent

Sweet, fruity, and slightly floral odor
Characterized by a pleasant and appealing scent reminiscent of fruits and flowers.

Applications

Perfumes, soaps, and personal care products
Commonly added to consumer products to provide a fresh and enjoyable aroma.

InChI:InChI=1/C15H28O2/c1-6-12(5)15(16)17-14-9-11(4)7-8-13(14)10(2)3/h10-14H,6-9H2,1-5H3

Upstream product

• 5856-79-1 iso-butyl chloroformate 
• 2216-51-5 (-)-menthol 
• 36854-53-2 methylethylketene 
• 116-53-0 2-Methylbutanoic acid 

Relevant articles and documents

The phosphate-carboxylate mixed-anhydride method: A mild, efficient process for ester and amide bond construction

A highly efficient carboxylate-phosphate anhydride pathway is described for the direct, economical synthesis of esters and amides from carboxylic acids and alcohols or amines. The reaction proceeds with retention of configuration with both chiral secondary alcohols and α-amino acid derivatives allowing access to useful chiral auxiliaries, ligands, and organocatalysts. Ester and amide products can be isolated directly in high yield due to the water soluble nature of the side products.