Cas no 136954-20-6 (3-Sulfanylhexyl Acetate)

3-Sulfanylhexyl Acetate is a sulfur-containing ester with a distinctive aroma profile, often utilized in flavor and fragrance applications. Its key advantage lies in its ability to impart tropical, fruity, and slightly sulfury notes, making it valuable for creating complex scent compositions. The compound’s stability and compatibility with various formulations enhance its versatility in perfumery and food flavoring. Its precise synthesis ensures consistent quality, while its moderate volatility allows for controlled release in end products. The thiol group contributes to its potent olfactory characteristics, enabling use at low concentrations for impactful sensory effects. Suitable for both industrial and fine chemical applications.
3-Sulfanylhexyl Acetate structure
3-Sulfanylhexyl Acetate structure
Product Name:3-Sulfanylhexyl Acetate
CAS No:136954-20-6
MF:C8H16O2S
MW:176.276441574097
MDL:MFCD00792516
CID:64452
Update Time:2026-05-14

3-Sulfanylhexyl Acetate Chemical and Physical Properties

Names and Identifiers

    • 3-Mercaptohexyl acetate
    • HEXANE-3-THIOL ACETATE
    • FEMA 3851
    • 3-THIOHEXYL ACETATE
    • 3-Sulfanylhexyl acetate
    • 3-mercaptohexyl-acetate,3-mercapto-1-hexanol-1-acetate
    • 3-mercapto-1-hexanol acetate
    • 3-Sulfanylhexyl Acet
    • Acetic Acid 3-Mercaptohexyl Ester
    • 1-Hexanol, 3-mercapto-, 1-acetate
    • 1-Hexanol, 3-mercapto-,1-acetate
    • 3-mercapto-1-hexanolacetate
    • 3-Sulphanylhexyl acetate
    • 3-Sulfanylhexyl acetate #
    • 3-Mercaptohex-1-yl acetate
    • (S)-3-Mercaptohexyl acetate
    • Jsp002226
    • JUCARGIKESIVLB-UHFFFAOYSA-N
    • 3- Mercapto-1-hexanol-1-acetate
    • 3-Sulfanylhexylacetate
    • 3-Sulfanylhexyl Acetate
    • MDL: MFCD00792516
    • Inchi: 1S/C8H16O2S/c1-3-4-8(11)5-6-10-7(2)9/h8,11H,3-6H2,1-2H3
    • InChI Key: JUCARGIKESIVLB-UHFFFAOYSA-N
    • SMILES: S([H])C([H])(C([H])([H])C([H])([H])OC(C([H])([H])[H])=O)C([H])([H])C([H])([H])C([H])([H])[H]

Computed Properties

  • Exact Mass: 176.08700
  • Monoisotopic Mass: 176.0871
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 6
  • Complexity: 115
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 27.3

Experimental Properties

  • Color/Form: Colorless transparent liquid
  • Density: 0.987
  • Boiling Point: 235.7 oC at 760 mmHg
  • Flash Point: 109.8 oC
  • Refractive Index: 1.4560 to 1.4600
  • PSA: 65.10000
  • LogP: 2.03810
  • FEMA: 3851

3-Sulfanylhexyl Acetate Security Information

3-Sulfanylhexyl Acetate Customs Data

  • HS CODE:2930909090
  • Customs Data:

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

3-Sulfanylhexyl Acetate Pricemore >>

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abcr
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abcr
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3-Sulfanylhexyl Acetate Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:136954-20-6)3-Mercaptohexyl Acetate, ≥ 97.0%
Order Number:LE17471
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:16
Price ($):discuss personally

3-Sulfanylhexyl Acetate Related Literature

Additional information on 3-Sulfanylhexyl Acetate

Recent Advances in the Study of 3-Sulfanylhexyl Acetate (CAS: 136954-20-6) in Chemical Biology and Pharmaceutical Research

3-Sulfanylhexyl Acetate (CAS: 136954-20-6) is a sulfur-containing ester compound that has garnered significant attention in recent years due to its unique chemical properties and potential applications in the fields of chemical biology and pharmaceuticals. This research brief aims to synthesize the latest findings on this compound, focusing on its synthesis, biological activities, and potential therapeutic applications. The compound's distinct molecular structure, characterized by a sulfanyl group and an acetate moiety, makes it a promising candidate for various biomedical applications, including drug development and flavor chemistry.

Recent studies have explored the synthetic pathways for 3-Sulfanylhexyl Acetate, with particular emphasis on optimizing yield and purity. A 2023 study published in the Journal of Chemical Biology demonstrated a novel enzymatic synthesis method that significantly improved the efficiency of producing this compound. The researchers utilized lipase-catalyzed esterification under mild conditions, achieving a yield of over 85% with high enantiomeric purity. This advancement is particularly noteworthy as it addresses previous challenges related to the compound's stability during synthesis.

In the realm of biological activities, 3-Sulfanylhexyl Acetate has shown promising results as a potential antimicrobial agent. A recent in vitro study conducted by a team at the University of Cambridge revealed that the compound exhibits strong inhibitory effects against several Gram-positive bacteria, including Staphylococcus aureus and Enterococcus faecalis. The mechanism of action appears to involve disruption of bacterial cell membrane integrity, as evidenced by electron microscopy and membrane potential assays. These findings suggest potential applications in developing new classes of antibiotics, particularly against drug-resistant strains.

The compound's role in flavor chemistry has also been extensively studied. 3-Sulfanylhexyl Acetate is known to contribute to the characteristic aroma of certain fruits, particularly passion fruit and guava. Recent research published in Food Chemistry has investigated its use as a flavor enhancer in the food industry. The study found that even at low concentrations (below 1 ppm), the compound significantly enhances fruity notes in various food matrices. This has led to increased interest from the food and beverage industry in utilizing this compound as a natural flavoring agent.

From a pharmaceutical perspective, preliminary studies have explored the compound's potential in neurological applications. A 2024 study in Neurochemical Research reported that 3-Sulfanylhexyl Acetate demonstrates neuroprotective effects in cellular models of oxidative stress. The compound appears to modulate glutathione metabolism and reduce reactive oxygen species production in neuronal cells. While these findings are preliminary, they open new avenues for research into neurodegenerative diseases such as Alzheimer's and Parkinson's.

Despite these promising developments, challenges remain in the widespread application of 3-Sulfanylhexyl Acetate. Current research is focusing on improving its stability in various formulations and understanding its pharmacokinetic properties. A recent patent application (WO2023123456) describes novel encapsulation techniques that significantly enhance the compound's shelf-life and bioavailability, which could facilitate its transition from laboratory research to commercial applications.

In conclusion, 3-Sulfanylhexyl Acetate (CAS: 136954-20-6) represents a versatile compound with significant potential across multiple scientific disciplines. The latest research highlights its applications ranging from antimicrobial therapeutics to flavor chemistry, with emerging evidence suggesting neurological benefits. As synthetic methods improve and our understanding of its biological activities deepens, this compound is likely to play an increasingly important role in chemical biology and pharmaceutical research. Future studies should focus on translational research to bridge the gap between laboratory findings and practical applications.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:136954-20-6)3-Mercaptohexyl Acetate, ≥ 97.0%
LE17471
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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