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3-mercaptohexyl acetate

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Origin: China

Cas No: 136954-20-6

Specification: 99%min

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  • Products Specification
  • Product Description
  • Property

    CAS No.: 136954-20-6 Formula: C8H16O2S Molecular Weight: 176.27600

    Description

    3-Sulfanylhexyl Acetate is a precursor of 3-mercaptohexan-1-ol found in grape juice.

    Basic Info

    Chemical Name 3-mercaptohexyl acetate
    Synonyms

    Acetic Acid 3-Mercaptohexyl Ester;
    3-Mercaptohexyl Acetate;
    3-sulfanylhexyl acetate;

    CAS No. 136954-20-6
    Molecular Formula C8H16O2S
    Molecular Weight 176.27600
    PSA 65.10000
    LogP 2.03810

    Properties

    Appearance & Physical State colorless clear liquid
    Density 0.987 g/cm3
    Boiling Point 235.7ºC at 760 mmHg
    Flash Point 109.8ºC
    Refractive Index 1.458
    Vapor Pressure 0.0494mmHg at 25°C

    Safety Info

    HS Code 2930909090
    Hazard Codes Xi

    Synthesis Route

    1-Hexanol, 3-mercapto-, (3R)-+acetyl chloride3-acetylsulfanylhexyl acetate+3-mercaptohexyl acetate
    1-Hexanol, 3-mercapto-, (3R)-+acetyl chloride3-mercaptohexyl acetate
    3-acetylsulfanylhexyl acetate1-Hexanol, 3-mercapto-, (3R)-+3-mercaptohexyl acetate

    GC Analysis

    Column type Active phase Temperature (°C) Retention Index (I) Temperature Control Method
    Capillary DB-5 - 1252. custom temperature program
    Capillary DB-Wax - 1740. temperature ramp
    Capillary DB-Wax - 1728. temperature ramp
    Capillary DB-Wax - 1732. custom temperature program
    Capillary DB-5 - 1244. temperature ramp

    Precursor

    1-Hexanol, 3-mercapto-, (3R)-
    3-acetylsulfanylhexyl acetate
    acetyl chloride

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