CAS 136954-20-6

3-Sulfanylhexyl acetate

Description:

3-Sulfanylhexyl acetate, with the CAS number 136954-20-6, is an organic compound characterized by its unique functional groups. It features a hexyl chain, which contributes to its hydrophobic properties, and a sulfanyl (thiol) group that imparts reactivity and potential for forming disulfide bonds. The acetate group indicates the presence of an ester functional group, which can influence its volatility and solubility in organic solvents. This compound is typically colorless to pale yellow and may possess a distinct odor, often associated with sulfur-containing compounds. Its molecular structure suggests potential applications in flavoring, fragrance, or as an intermediate in organic synthesis. Additionally, the presence of the sulfanyl group may confer antioxidant properties, making it of interest in various chemical and industrial applications. As with many sulfur-containing compounds, it may exhibit sensitivity to air and moisture, necessitating careful handling and storage. Overall, 3-sulfanylhexyl acetate is a compound of interest in both synthetic chemistry and potential industrial applications.

Formula: C₈H₁₆O₂S

InChI: InChI=1S/C8H16O2S/c1-3-4-8(11)5-6-10-7(2)9/h8,11H,3-6H2,1-2H3

InChI key: InChIKey=JUCARGIKESIVLB-UHFFFAOYSA-N

SMILES: C(CCOC(C)=O)(CCC)S

Synonyms:

• 1-Hexanol, 3-mercapto-, 1-acetate
• 3-Mercapto-1-Hexanol Acetate
• 3-Mercaptohex-1-yl acetate
• 3-Mercaptohexyl-Acetate,3-Mercapto-1-Hexanol-1-Acetate
• 3-Sulfanylhexyl acetate
• 3-Thiohexyl Acetate
• Fema 3851
• Hexane-3-Thiol Acetate
• Hexane-3-thiol acetate 95%
• 3-Mercaptohexyl acetate

3-Mercaptohexyl Acetate

CAS: 136954-20-6

Formula: C₈H₁₆O₂S

Purity: >97.0%(GC)

Color and Shape: Colorless to Almost colorless clear liquid

Molecular weight: 176.27

Ref: 3B-M2497

1-Hexanol, 3-mercapto-, 1-acetate

CAS: 136954-20-6

Formula: C₈H₁₆O₂S

Purity: 98%

Color and Shape: Liquid

Molecular weight: 176.2764

Ref: IN-DA0012LT

3-Thiohex-1-yl acetate

CAS: 136954-20-6

3-Thiohex-1-yl acetate

Formula: C₈H₁₆O₂S

Purity: 95%

Color and Shape: Colourless Liquid

Molecular weight: 176.28g/mol

Ref: 54-OR5751

3-Sulfanylhexyl Acetate

Controlled Product

CAS: 136954-20-6

Stability Hygroscopic
Applications 3-Sulfanylhexyl Acetate is a precursor of 3-mercaptohexan-1-ol (M225270) found in grape juice.
References Harsch, M.J., et al.: J. Agri. Food. Chem., 61, 3703 (2013); Makhotkina, O., et al.: Food. Chem., 135, 486 (2012);

Formula: C₈H₁₆O₂S

Color and Shape: Neat

Molecular weight: 176.28

Ref: TR-S689105

3-Mercaptohexyl acetate

CAS: 136954-20-6

3-Mercaptohexyl acetate is a chemical that is used in analytical methods to prepare samples for magnetic resonance spectroscopy. 3-Mercaptohexyl acetate is also a potential biomarker, as it can be found in vitro and has been shown to interact with other compounds. The binding of 3-mercaptohexyl acetate to thiols and the effect of carbon disulphide on this binding have been studied. 3-Mercaptohexyl acetate has been shown to interact with receptor binding sites, which may be due to its similarity to natural compounds. Chemical reactions that produce 3-mercaptohexyl acetate are not well understood.

Formula: C₈H₁₆O₂S

Purity: Min. 95%

Color and Shape: Clear Liquid

Molecular weight: 176.28 g/mol

Ref: 3D-FM35719

3-Mercaptohexyl acetate

CAS: 136954-20-6

Formula: C₈H₁₆O₂S

Purity: 98%

Color and Shape: Liquid, Clear

Molecular weight: 176.27

Ref: 10-F069264