1639-03-8

Basic information

• Product Name: 3-methylpentane-3-thiol
• Synonyms: 3-methylpentane-3-thiol;3-Methyl-3-pentanethiol
• CAS NO: 1639-03-8
• Molecular Formula: C₆H₁₄S
• Molecular Weight: 118.24036
• EINECS: 216-677-2
• Mol File: 1639-03-8.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 123.9°C at 760 mmHg
• Flash Point: 20°C
• Appearance: /
• Density: 0.834g/cm³
• Vapor Pressure: 15.8mmHg at 25°C
• Refractive Index: 1.445
• CAS DataBase Reference: 3-methylpentane-3-thiol(CAS DataBase Reference)
• NIST Chemistry Reference: 3-methylpentane-3-thiol(1639-03-8)
• EPA Substance Registry System: 3-methylpentane-3-thiol(1639-03-8)

Safety Data

• Hazardous Substances Data: 1639-03-8(Hazardous Substances Data)

Usage

General Description

3-methylpentane-3-thiol is a chemical compound with the molecular formula C6H14S. It is a clear, colorless liquid with a strong, unpleasant odor, resembling that of rotten cabbage or onions. 3-methylpentane-3-thiol is commonly used as a flavoring agent in food products and as a fragrance in perfumes and other scented products. It is also utilized in the production of pharmaceuticals and as a reagent in organic synthesis. The compound is highly volatile and flammable, and should be handled with caution due to its strong odor and potential irritant effects on the respiratory system. Additionally, it is known to be highly toxic if ingested or inhaled in large quantities and should be handled and stored according to proper safety protocols.

InChI:InChI=1/C6H14S/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3

Upstream product

• 77-74-7 3-methylpentan-3-ol 

Relevant articles and documents

Organic preparations with molar amounts of volatile malodorous thiols

Thiols are indispensable for the preparation of many organic sulfur compounds. Their strong smell and use for gas leakage perception render it almost impossible to work with them without arousing public attention. Molar amounts of the very odoriferous thiol 2-methyl-2-propanethiol (t-butylthiol) are needed, for example, for the large-scale synthesis of two useful synthetic building blocks, 1,2,4,5-tetrakis(t-butylthio)benzene and tetramethylbenzo-2,2, 6,6-[1,2-d;4,5-d']bis[1,3]dithiol. We investigated an array of alternatives to circumvent the problem: (1) alternative thiols (primary, long-chain, tertiary thiols of larger molar mass); (2) exhaust cleaning methods (adsorption, oxidation, conversion to a salt); and (3) thermal exhaust treatment. Only combustion of the fumehood exhaust with domestic gas at 900 °C in a regenerative thermal oxidation unit was able to completely prevent the thiol smell from escaping. Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications to view the free supplemental file.