20291-60-5

Basic information

• Product Name: N-HEXYL METHYL SULFIDE
• Synonyms: N-HEXYL METHYL SULFIDE;1-(Methylsulfanyl)hexane;1-(Methylthio)-Hexane;2-Thiaoctane;Hexyl methyl sulfide;Sulfide, hexyl methyl
• CAS NO: 20291-60-5
• Molecular Formula: C₇H₁₆S
• Molecular Weight: 132.27
• Mol File: 20291-60-5.mol
• Article Data: 6

Chemical Properties

• Melting Point: -66.8°C
• Boiling Point: 154.25°C (estimate)
• Flash Point: 57.4°C
• Appearance: /
• Density: 0.8390
• Vapor Pressure: 1.69mmHg at 25°C
• Refractive Index: 1.4505
• CAS DataBase Reference: N-HEXYL METHYL SULFIDE(CAS DataBase Reference)
• NIST Chemistry Reference: N-HEXYL METHYL SULFIDE(20291-60-5)
• EPA Substance Registry System: N-HEXYL METHYL SULFIDE(20291-60-5)

Safety Data

• Hazardous Substances Data: 20291-60-5(Hazardous Substances Data)

Usage

General Description

N-HEXYL METHYL SULFIDE is a chemical compound with the formula C7H16S. It is a colorless to pale yellow liquid with a garlic-like odor and is classified as an organosulfur compound. N-HEXYL METHYL SULFIDE is commonly used as a flavoring agent and fragrance in the food and cosmetic industries. It is also found in small amounts in human breath and urine as a metabolite of certain foods and beverages. In addition, it is used in the production of rubber and plastics. N-HEXYL METHYL SULFIDE is also known to have insecticidal properties and is used in agricultural applications as a fumigant to control pests. Overall, N-HEXYL METHYL SULFIDE has diverse industrial and biological applications due to its distinct odor and chemical properties.

InChI:InChI=1/C7H16S/c1-3-4-5-6-7-8-2/h3-7H2,1-2H3

Upstream product

• 111-31-9 Hexanethiol 
• 74-88-4 methyl iodide 
• 17659-15-3 1-methoxycarbonylsulfanyl-hexane 
• 616-38-6 carbonic acid dimethyl ester 
• 111-25-1 1-bromo-hexane 
• 1879-16-9 1-methoxy-4-methylsulfanyl-benzene 
• 6326-16-5 dithiocarbamic acid hexyl ester 
• 7732-18-5 water 
• 41580-85-2 hexyl-dimethyl sulfonium ; iodide 

Downstream Products

• 116905-38-5 2-aminophenyl hexyl sulphide 

Relevant articles and documents

Nickel-Catalyzed Inter- and Intramolecular Aryl Thioether Metathesis by Reversible Arylation

A nickel-catalyzed aryl thioether metathesis has been developed to access high-value thioethers. 1,2-Bis(dicyclohexylphosphino)ethane (dcype) is essential to promote this highly functional-group-tolerant reaction. Furthermore, synthetically challenging macrocycles could be obtained in good yield in an unusual example of ring-closing metathesis that does not involve alkene bonds. In-depth organometallic studies support a reversible Ni0/NiII pathway to product formation. Overall, this work not only provides a more sustainable alternative to previous catalytic systems based on Pd, but also presents new applications and mechanistic information that are highly relevant to the further development and application of unusual single-bond metathesis reactions.

A model for the cobalamin-dependent methionine synthase

The acid-catalyzed transfer of a Me group from N,N-dimethylaniline (6) to vitamin-B12-derived Co1 complexes 2a,b was realized (Scheme 3). Hexane- 1-thiol (8) was methylated by the methylcobalt complexes 4a,b in the presence of pyridine. Conditions for the complete cycle, i.e., Me transfer from 6 to 8 with Co1 complexes acting as a nucleophile and a nucleofuge have been established. The importance of Zn2+ as activating agent and of the basicity of tertiary amines for the Me transfer has been investigated.

New Oxyfunctionalization Capabilities for ω-Hydroxylases: Asymmetric Aliphatic Sulfoxidation and Branched Ether Demethylation

Due to inherent difficulties in the chemical generation of aliphatic synthons, the stereo- and regioselective oxyfunctionalization of simple aliphatic substrates represents an area where chemical applications of biocatalysis would be particularly useful.The hydrocarbon monooxygenase from Pseudomonas oleovorans is a prototypical "ω-hydroxylase" known to carry out hydroxylation at the terminal methyl of alkanes as well as epoxidation of terminal olefins.It is now demonstrated that this enzyme system catalyzes stereoselective sulfoxidation of methyl thioether substrates, representing the first clear example of oxygenase-produced chiral aliphatic sulfoxides yet reported.In addition, it is shown that this enzyme system catalyzes oxygenative O-demethylation of branched alkyl methyl and branched vinyl methyl ethers to secondary alcohols and ketones, respectively.These findings establish new oxyfunctionalization capabilities, and thus a significantly expanded biotechnological potential, for the hydrocarbon monooxygenases.