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Benzyl mercaptan

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Benzyl mercaptan Basic information
Benzyl mercaptan Chemical Properties
  • Melting point:-29 °C
  • Boiling point:194-195 °C (lit.)
  • Density 1.058 g/mL at 25 °C (lit.)
  • vapor density >4 (vs air)
  • refractive index n20/D 1.575(lit.)
  • FEMA 2147 | BENZYL MERCAPTAN
  • Flash point:158 °F
  • storage temp. 2-8°C
  • form Liquid
  • pka9.43(at 25℃)
  • color Clear colorless to light yellow
  • explosive limit1%(V)
  • Water Solubility Not miscible or difficult to mix in water.
  • Sensitive Air Sensitive
  • Merck 14,9322
  • JECFA Number526
  • BRN 605864
  • Stability:Stable. Combustible.
  • InChIKeyUENWRTRMUIOCKN-UHFFFAOYSA-N
  • CAS DataBase Reference100-53-8(CAS DataBase Reference)
  • NIST Chemistry ReferenceBenzenemethanethiol(100-53-8)
  • EPA Substance Registry SystemBenzenemethanethiol (100-53-8)
Safety Information
MSDS
Benzyl mercaptan Usage And Synthesis
  • DescriptionBenzyl mercaptan (C6H5CH2SH) is a kind of organosulfur compound. It is a commonly used alkaylthiol in the laboratory and is a naturally occurring compound. It has been found in boxwood and boost the smoky aroma in some kinds of wines. It is also naturally existed in coffee. It can be used as source of thiol functional group during the organic synthesis. In addition, it can also used as an odorant, synthetic flavor and as a bacteriostatic reagent. It is manufactured by the reaction of benzyl chloride and sodium hydrosulfide.
  • Chemical PropertiesCream to white, moist crystals; musty odor. Insoluble in water; soluble in alcohol or ether. There are three isomers with different boiling points.
  • Chemical PropertiesBenzyl mercaptan has repulsive, garlic-like odor. It oxidizes in air to dibenzyl disulfide.
  • OccurrenceReported found in coffee.
  • UsesIntermediate, bacteriostat.
  • PreparationFrom benzyl chloride and potassium hydrosulfide.
  • Aroma threshold valuesDetection: 0.19 to 2.6 ppb.
  • Taste threshold valuesTaste characteristics at 15 ppm: leek, horseradish, cabbage, green, tomato and coffee.
  • Synthesis Reference(s)Canadian Journal of Chemistry, 53, p. 1480, 1975 DOI: 10.1139/v75-205
    Synthesis, p. 498, 1984 DOI: 10.1055/s-1984-30880
  • HazardSkin irritant.
  • Safety ProfilePoison by inhalation and intraperitoneal routes. Moderately toxic by ingestion. An eye irritant. Questionable carcinogen with experimental tumorigenic data. Flammable when exposed to heat or flame. Can react vigorously with oxidizing materials. To fight fire, use foam, CO2, dry chemical, water spray, mist, fog. When heated to decomposition and on contact with acid or acid fumes it emits highly toxic fumes of SOx. See also SULFIDES and MERCAPTANS.
  • Purification MethodsPurify benzyl mercaptan via the mercury salt [see Kern J Am Chem Soc 75 1865 1953], which crystallises from *benzene as needles (m 121o), and then dissolve it in CHCl3. Pass H2S gas through the solution to regenerate the mercaptan. The HgS that precipitates is filtered off and washed thoroughly with CHCl3. The filtrate and washings are evaporated to remove CHCl3; then the residue is fractionally distilled under reduced pressure [Mackle & McClean, Trans Faraday Soc 58 895 1962]. [Beilstein 6 IV 2632.]
Benzyl mercaptan Preparation Products And Raw materials
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