94291-50-6

Basic information

• Product Name: 1-methoxyhexane-3-thiol
• Synonyms: 1-methoxyhexane-3-thiol;1-methoxy-3-hexanethio;1-methoxy-3-Hexanethiol;3-Hexanethiol,1-methoxy-(9CI)
• CAS NO: 94291-50-6
• Molecular Formula: C₇H₁₆OS
• Molecular Weight: 148.26634
• EINECS: 304-874-7
• Mol File: 94291-50-6.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 184.3°Cat760mmHg
• Flash Point: 65.2°C
• Appearance: /
• Density: 0.899g/cm³
• Vapor Pressure: 1.01mmHg at 25°C
• Refractive Index: 1.447
• CAS DataBase Reference: 1-methoxyhexane-3-thiol(CAS DataBase Reference)
• NIST Chemistry Reference: 1-methoxyhexane-3-thiol(94291-50-6)
• EPA Substance Registry System: 1-methoxyhexane-3-thiol(94291-50-6)

Safety Data

• Hazardous Substances Data: 94291-50-6(Hazardous Substances Data)

Usage

General Description

1-methoxyhexane-3-thiol is a chemical compound that is also known as 3-Methoxyhexanethiol. It is a colorless liquid with a strong odor, and it is commonly used in the fragrance industry as a flavoring agent and aroma compound. It is often added to perfumes, soaps, and other personal care products to impart a sulfurous, skunky odor. 1-methoxyhexane-3-thiol is also used as a chemical intermediate in the production of other chemicals, and it has potential applications in organic synthesis and as a reagent in chemical reactions. Additionally, it is important to handle 1-methoxyhexane-3-thiol with caution, as it can be irritating to the eyes and skin and may have harmful effects if ingested or inhaled.

InChI:InChI=1/C7H16OS/c1-3-4-7(9)5-6-8-2/h7,9H,3-6H2,1-2H3

Upstream product

• 928-96-1 (Z)-3-Hexen-1-ol 
• 70220-06-3 (Z)-1-methoxyhex-3-ene 
• 449174-50-9 (+/-)-cis-2-ethyl-3-(2-methoxyethyl)oxirane 

Relevant articles and documents

1-Methoxyhexane-3-thiol, a powerful odorant of clary sage (Salvia sclarea L.)

The peculiar and highly diffusive odor signal of flowering clary-sage plants (Salvia sclarea L.) was identified to derive from trace amounts of 1 -methoxyhexane-3-thiol (1) by mass-spectrometry analysis and confirmed by comparison with synthetic racemic thiol (±)-1. The enantiomers (S)- and (R)-1 were prepared by enantioselective synthesis, and the absolute configuration of (S)-1 was fully corroborated by X-ray-diffraction analysis of the crystalline thioester (1′S,1S)-2. Compound (S)-1 is one of the most powerful odorants known, with a detection threshold of 0.04·10-3 ng/l air, and is, with its herbaceous-green, alliaceous, and perspiration profile, key to the fragrance of clary-sage flowers and of the freshly distilled essential oil. As a consequence of its unique odor, 1 was also suspected to be part of the volatiles of a Ruta species where it was subsequently identified together with its homologue, 1-methoxyheptane-3-thiol (3), 1-methoxy-4-methylpentane-3-thiol (4), and the known 4-methoxy-2-methylbutane-2-thiol (5). The syntheses of (±)-3 and (±)-4 as well as of the enantiomer (R)-4 are described. In both natural fractions, the ratio (S)-1/(R)-1 was slightly in favor of the (S)-enantiomer. Natural 4 has (R)-configuration.