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Benzyl mercaptan

Benzyl mercaptan Suppliers list
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Products Intro: Product Name:Benzyl mercaptan
CAS:100-53-8
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CAS:100-53-8
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Benzyl mercaptan manufacturers

  • Benzyl mercaptan
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  • 2023-07-04
  • CAS:100-53-8
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Benzyl mercaptan Basic information
Description
Product Name:Benzyl mercaptan
Synonyms:Benzyl thioalcohol;alpha-Toluenethiol,99%;a-Toluenethiol 10g [100-53-8];Benzyl mercaptan,α-Toluenethiol, α-Tolyl mercaptan;BenzeneMthanethiol;alpha-Toluenethiol, 99% 100GR;alpha-Toluenethiol, 99% 500GR;Thiobenzyl Alcohol alpha-Toluenethiol
CAS:100-53-8
MF:C7H8S
MW:124.2
EINECS:202-862-5
Product Categories:Building Blocks;Chemical Synthesis;Organic Building Blocks;Sulfur Compounds;Thiols/Mercaptans;thiol Flavor;Phenol&Thiophenol&Mercaptan
Mol File:100-53-8.mol
Benzyl mercaptan Structure
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
Fp 158 °F
storage temp. 2-8°C
solubility Chloroform (Slightly), Methanol (Slightly)
form Liquid
pka9.43(at 25℃)
color Clear colorless to light yellow
Odorat 0.10 % in propylene glycol. sharp alliaceous onion sulfurous garlic horseradish mint coffee
Odor Typealliaceous
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
LogP2.48
CAS DataBase Reference100-53-8(CAS DataBase Reference)
NIST Chemistry ReferenceBenzenemethanethiol(100-53-8)
EPA Substance Registry SystemBenzenemethanethiol (100-53-8)
Safety Information
Hazard Codes T,N
Risk Statements 22-23-50/53
Safety Statements 23-26-36/37/39-45-61-60
RIDADR 2810
WGK Germany 3
RTECS XT8650000
10-13-23
Hazard Note Harmful/Lachrymator
TSCA Yes
HazardClass 6.1
PackingGroup III
HS Code 29309090
Hazardous Substances Data100-53-8(Hazardous Substances Data)
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
ALFA English
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.
UsesBenzyl mercaptan can be used as:
  • A nucleophilic reagent in the cleavage of proanthocyanidins into their constitutive subunits.
  • A reactant in the synthesis of dithiocarboxylic esters in the presence of phosphorus pentasulfide as a catalyst.
  • A modifier to functionalize the surface of CNT for enhanced interaction with Pt-nanoparticles.

DefinitionChEBI: Benzyl thiol is a thiol that is toluene in which one of the methyl hydrogens has been replaced by a sulfanyl group. It has a role as a plant metabolite. It is a thiol and a member of benzenes. It derives from a hydride of a toluene.
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.]
Tag:Benzyl mercaptan(100-53-8) Related Product Information
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