74912-37-1

Basic information

• Product Name: 2-isopropyl-5-methylhex-4-enyl acetate
• Synonyms: 2-isopropyl-5-methylhex-4-enyl acetate;Acetic acid 2-isopropyl-5-methyl-4-hexenyl ester
• CAS NO: 74912-37-1
• Molecular Formula: C₁₂H₂₂O₂
• Molecular Weight: 198.30188
• EINECS: 278-019-0
• Mol File: 74912-37-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 220.5°C at 760 mmHg
• Flash Point: 61.6°C
• Appearance: /
• Density: 0.885g/cm³
• Vapor Pressure: 0.112mmHg at 25°C
• Refractive Index: 1.442
• CAS DataBase Reference: 2-isopropyl-5-methylhex-4-enyl acetate(CAS DataBase Reference)
• NIST Chemistry Reference: 2-isopropyl-5-methylhex-4-enyl acetate(74912-37-1)
• EPA Substance Registry System: 2-isopropyl-5-methylhex-4-enyl acetate(74912-37-1)

Safety Data

• Hazardous Substances Data: 74912-37-1(Hazardous Substances Data)

Usage

General Description

The chemical 2-isopropyl-5-methylhex-4-enyl acetate is a colorless liquid with a fruity, apple-like odor. It is commonly used in the fragrance industry as a component in perfumes, air fresheners, and other scented products. It is also used as a flavoring agent in food and beverages. This chemical is known for its pleasant aroma and is often added to products to enhance their scent. Additionally, it has low volatility and good stability, making it a popular choice for use in various consumer products.

InChI:InChI=1/C12H22O2/c1-10(2)7-5-6-8-14-12(13)9-11(3)4/h7,11H,5-6,8-9H2,1-4H3

Upstream product

• 1191-16-8 3-methylbut-2-enyl acetate 
• 82898-51-9 2-isopropyl-5-methylhex-4-en-1-ol 
• 75-36-5 acetyl chloride 
• 25905-14-0 lavandulyl acetate 

Relevant articles and documents

Model Studies of Terpene Biosynthesis. Intermolecular 1'-2 Electrophilic Condensation of 3-Methyl-2-butenyl Acetate

The stereochemistry of the carbon-carbon bond-forming step in the electrophilic intermolecular 1'-2 condensation of 3-methyl-2-butenyl acetate (1-OAc) to yield lavandulyl acetate (2-OAc) was studied.Treatment of (1S)-3-methyl-2-butenyl acetate ((1S)-1-OAc) with aluminum trichloride in ethyl acetate gave labeled lavandulyl acetate (2-OAc) (30percent) and isoprene (65percent) as the major products.The configurations at C(1), C(2), and C(3) and the relative abundances of the diastereomers of 1-OAc were determined by converting the mixture to 3-(2'-propyl)-butyrolactone (3).The intensities of 1H resonances characteristic of each diastereomer were measured with the aid of Pirkle's chiral shift reagent, (S)-(+)-2,2,2-trifluoro-1-(9-anthryl)ethanol.The analysis showed that equal amounts of the (1S,2S,3R), (1S,2R,3R), (1S,2S,3S), and (1S,2R,3S) diastereomers of 2-OAc were obtained, signifying that the 1'-2 condensation was stereorandom at C(1) of the electrophilic isoprene unit.