1633-90-5

Basic information

• Product Name: 3-HEXANETHIOL
• Synonyms: 3-HEXANETHIOL;hexane-3-thiol;3-HEXANETHIOL 97%;3-Mercaptohexane
• CAS NO: 1633-90-5
• Molecular Formula: C₆H₁₄S
• Molecular Weight: 118.24
• EINECS: 216-650-5
• Mol File: 1633-90-5.mol
• Article Data: 4

Chemical Properties

• Melting Point: -113.76°C (estimate)
• Boiling Point: 150.86°C (estimate)
• Flash Point: 29.5°C
• Appearance: /liquid (estimate)
• Density: 0.8408 (estimate)
• Vapor Pressure: 7.5mmHg at 25°C
• Refractive Index: 1.4496
• CAS DataBase Reference: 3-HEXANETHIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 3-HEXANETHIOL(1633-90-5)
• EPA Substance Registry System: 3-HEXANETHIOL(1633-90-5)

Safety Data

• Hazardous Substances Data: 1633-90-5(Hazardous Substances Data)

Usage

General Description

3-Hexanethiol is a chemical compound with the formula C6H14S. It is a colorless liquid with a strong, unpleasant odor similar to that of rotten eggs. 3-Hexanethiol is commonly used as a flavor and fragrance ingredient in various food and beverage products, as well as in perfumes and other personal care products. It is also used as a reagent in organic synthesis and as a starting material for the production of other chemicals. 3-Hexanethiol is known to be highly flammable and should be handled with caution due to its low flash point. It is also a primary irritant to the skin, eyes, and respiratory system, and exposure should be minimized to prevent adverse health effects.

InChI:InChI=1/C6H14S/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3

Upstream product

• 4458-90-6 3-(toluene-4-sulfonyloxy)-hexane 
• 623-37-0 n-hexan-3-ol 
• 55590-84-6 Hex-3-yl-thioacetat 
• 25561-30-2 N,O-Bis(trimethylsilyl)trifluoroacetamide 
• 693-07-2 2-Chloroethyl ethyl sulfide 
• 592-47-2 3-hexene 
• 110-62-3 pentanal 
• 56176-57-9 trans-1-N-piperidino-1-pentene 
• 13269-52-8 trans-3-Hexene 
• 7642-09-3 cis-3-hexene 
• 154012-38-1 2-n-propylthiete 1,1-dioxide 
• 13831-08-8 Dithiobuttersaeuremethylester 
• 925-90-6 ethylmagnesium bromide 
• 3377-87-5 3-bromohexane 

Relevant articles and documents

A novel method for the synthesis of thiols from the corresponding olefins by using thiocarbonates and Ti(IV) halides

A convenient method for the preparation of secondary or tertiary thiols from the corresponding olefins was established by using thiocarbonate, titanium(IV) chloride or fluoride and copper(II) oxide. Various thiols were obtained regioselectively in good to excellent yields according to the Markovnikov rule.

Reaction Products and Process of 2-Chloroethyl Ethyl Sulfide in Microemulsion Media

The reaction of 2-chloroethyl ethyl sulfide was investigated in several oil-in-water microemulsions. The reaction products were identified by GC/MS, NMR, and LC/MS, and the reaction process was monitored by measuring peak height of reaction products and 2-chloroethyl ethyl sulfide with time by 1H NMR spectroscopy. The result showed that 2-chloroethyl ethyl sulfide degraded to 2-hydroxyethyl ethyl sulfide, cyclic sulfonium ion, open chain sulfonium chloro ion and sulfonium hydroxyl ion, and the reaction proceeded via a cyclic sulfonium ion intermediate. Based on the NMR results, a pseudoternary model was established for the reaction process of 2-chloroethyl ethyl sulfide in microemulsion.