499-54-7

Basic information

• Product Name: 7-isopropyl-4-methyloxepan-2-one
• Synonyms: 7-isopropyl-4-methyloxepan-2-one;2-Oxepanone, 4-methyl-7-(1-methylethyl)-;7-Isopropyl-4-methyloxepan-2-on;4-methyl-7-propan-2-yl-oxepan-2-one;4-methyl-7-propan-2-yloxepan-2-one
• CAS NO: 499-54-7
• Molecular Formula: C₁₀H₁₈O₂
• Molecular Weight: 170.24872
• EINECS: 207-882-8
• Mol File: 499-54-7.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 248.3°Cat760mmHg
• Flash Point: 96.6°C
• Appearance: /
• Density: 0.926g/cm³
• Vapor Pressure: 0.0244mmHg at 25°C
• Refractive Index: 1.435
• CAS DataBase Reference: 7-isopropyl-4-methyloxepan-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: 7-isopropyl-4-methyloxepan-2-one(499-54-7)
• EPA Substance Registry System: 7-isopropyl-4-methyloxepan-2-one(499-54-7)

Safety Data

• Hazardous Substances Data: 499-54-7(Hazardous Substances Data)

Usage

Description

7-Isopropyl-4-methyloxepan-2-one, also known as 6-Hydroxy-3,7-dimethyl octanoic acid, lactone, is an organic compound with a distinct maple syrup or brown-sugar odor. It is characterized by its unique chemical structure, which includes an isopropyl group at the 7th position and a methyl group at the 4th position, along with a lactone ring.

Uses

Used in Flavor and Fragrance Industry:
7-Isopropyl-4-methyloxepan-2-one is used as a flavoring agent for its characteristic maple syrup or brown-sugar odor. It is particularly useful in the creation of artificial flavors for the food and beverage industry, where it can be used to enhance or mimic the taste of natural maple syrup.
Used in Perfumery:
In the perfumery industry, 7-isopropyl-4-methyloxepan-2-one is used as a fragrance ingredient. Its unique scent profile can be utilized to create complex and long-lasting fragrances, adding depth and character to perfumes and colognes.
Used in Cosmetics:
7-Isopropyl-4-methyloxepan-2-one can also be used in the cosmetics industry, where it can serve as a scent additive to various products such as lotions, creams, and soaps. Its pleasant odor can enhance the overall sensory experience of these products, making them more appealing to consumers.
Used in the Pharmaceutical Industry:
Although not explicitly mentioned in the provided materials, 7-isopropyl-4-methyloxepan-2-one may have potential applications in the pharmaceutical industry, possibly as a starting material for the synthesis of various drugs or as a component in drug delivery systems due to its unique chemical structure and properties. Further research and development would be required to explore these potential uses.

InChI:InChI=1/C10H18O2/c1-7(2)9-5-4-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3

Upstream product

• 10458-14-7 Menthone 
• 15356-70-4 menthol 
• 120324-18-7 (4S,7R)-7-Isopropenyl-4-methyl-oxepan-2-one 
• 491-07-6 (+/-)-menthone 
• 120324-18-7 (4R,7R)-7-Isopropenyl-4-methyl-oxepan-2-one 
• 491-07-6 isomenthone 
• 1196-31-2 (1R,4R)-(+)-isomenthone 
• 10458-14-7 (2R,5S)-menthone 
• 75326-21-5 menthyl methyl ether 

Downstream Products

• 65851-00-5 4,8-Dimethyl-1-(toluene-4-sulfonyl)-nonane-2,7-diol 
• 199797-27-8 7-Isopropyl-4-methyl-3-phenylselanyl-oxepan-2-one 
• 136493-73-7 (R)-3,7-Dimethyl-6-(toluene-4-sulfonyloxy)-octanoic acid methyl ester 
• 1237740-97-4 (S)-1-(2-hydroxyphenyl)-3,7-dimethyloctane-1,6-dione 
• 1237740-96-3 (R)-1-(2-hydroxyphenyl)-3,7-dimethyloctane-1,6-dione 
• 53067-10-0 3,7-dimethyl-1,6-octanediol 

Relevant articles and documents

SYNTHESIS OF ALIPHATIC ALCOHOLS AS AROMA CHEMICALS

The present invention relates to a method for preparing a compound of formula (I). The present invention also relates to compounds of formula (A) or a compound in the form of a stereoisomer. The present invention further relates to the use of a compound of formula (A) as aroma chemical.

Preparation and Catalytic Property of Multi-walled Carbon Nanotubes Supported Keggin-Typed Tungstosilicic Acid for the Baeyer-Villiger Oxidation of Ketones

Multi-walled carbon nanotubes (MWCNTs) supported HSiW/MWCNTs was successfully prepared and characterized by Fourier transform infrared spectoscopy, X-ray powder diffraction, transmission electron microscopy and N2 adsorption-desorption test. Its catalytic performance for the catalytic Baeyer-Villiger oxidation of cyclic ketones with 30 % H2O2 as oxidants was investigated. It was found that HSiW/MWCNTs was very efficient to transform of some cycloketones to the corresponding lactones with high conversions as well as selectivities. Factors affecting the oxidations and the reusability of the catalyst were also investigated. It was found that the catalyst can be reused seven times in the catalytic oxidation reaction of cyclopentanone without obviously catalytic activity losing in the oxidation. Graphical Abstract: A supported solid acid of HSiW/MWCNTs was used as efficient catalyst for the Baeyer-Villiger oxidation of ketones. High cyclopentanone conversion (98 %) and ε- valerolactone selectivity (99 %) were obtained. The catalyst can be reused at least seven runs in the oxidation of cyclopentanone.

Lactones 34 [1]. Application of alcohol dehydrogenase from horse liver (HLADH) in enantioselective synthesis of δ- and ε-lactones

The ability of horse liver alcohol dehydrogenase (HLADH) to the enantioselective oxidation of primary-primary, primary-secondary and primary-tertiary aliphatic 1,5- and 1,6-diols 1a-i was studied. No enantioselectivity of the transformations of primary-primary 1,6-diols 1a-d to ε-lactones 4a-d was observed. Regioselective oxidation of primary-secondary 1,6-diols 1e,f and 1,5-diols 1h,i afforded enantiomerically enriched ε-lactones 4e,f and δ-lactones 4h,i. ε-Lactones 4e,f were formed with higher enantiomeric excesses (e.e. = 85-99%). Enzymatic oxidation of primary-tertiary 1,6-diol 1g did not give lactone product.