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Benzyl mercaptan

Benzyl mercaptan Structure
CAS No.
100-53-8
Chemical Name:
Benzyl mercaptan
Synonyms
Phenylmethanethiol;Benzenemethanethiol;Benzylthiol;TOLUENETHIOL;Benzyl mercaptane;ALPHA-TOLUENETHIOL;FEMA 2147;Benzyl Mer;usafex-1509;usafek-1509
CBNumber:
CB0680361
Molecular Formula:
C7H8S
Molecular Weight:
124.2
MOL File:
100-53-8.mol
MSDS File:
SDS
Modify Date:
2024/7/25 20:04:51

Benzyl mercaptan 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
solubility Chloroform (Slightly), Methanol (Slightly)
form Liquid
pka 9.43(at 25℃)
color Clear colorless to light yellow
Odor at 0.10 % in propylene glycol. sharp alliaceous onion sulfurous garlic horseradish mint coffee
Odor Type alliaceous
explosive limit 1%(V)
Water Solubility Not miscible or difficult to mix in water.
Sensitive Air Sensitive
Merck 14,9322
JECFA Number 526
BRN 605864
Stability Stable. Combustible.
InChIKey UENWRTRMUIOCKN-UHFFFAOYSA-N
LogP 2.48
CAS DataBase Reference 100-53-8(CAS DataBase Reference)
NIST Chemistry Reference Benzenemethanethiol(100-53-8)
EPA Substance Registry System Benzenemethanethiol (100-53-8)

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS06,GHS09
Signal word  Danger
Hazard statements  H302-H330-H410
Precautionary statements  P260-P264-P270-P273-P301+P312-P304+P340+P310
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
NFPA 704
2

Benzyl mercaptan price More Price(13)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich(India) W214701 Benzyl mercaptan 99%, FG 100-53-8 1SAMPLE-K ₹5141.88 2022-06-14 Buy
Sigma-Aldrich(India) W214701 Benzyl mercaptan 99%, FG 100-53-8 1KG ₹23825.83 2022-06-14 Buy
Sigma-Aldrich(India) B25401 Benzyl mercaptan 99% 100-53-8 5G ₹1190.75 2022-06-14 Buy
Sigma-Aldrich(India) B25401 Benzyl mercaptan 99% 100-53-8 100G ₹2446.45 2022-06-14 Buy
ALFA India ALF-B20081-36 Benzyl mercaptan, 99% 100-53-8 500g ₹18000 2022-05-26 Buy
Product number Packaging Price Buy
W214701 1SAMPLE-K ₹5141.88 Buy
W214701 1KG ₹23825.83 Buy
B25401 5G ₹1190.75 Buy
B25401 100G ₹2446.45 Buy
ALF-B20081-36 500g ₹18000 Buy

Benzyl mercaptan Chemical Properties,Uses,Production

Chemical Properties

Benzyl mercaptan has repulsive, garlic-like odor. It oxidizes in air to dibenzyl disulfide.

Occurrence

Reported found in coffee.

Uses

Benzyl 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.

Preparation

From benzyl chloride and potassium hydrosulfide.

Hazard

Skin irritant.

Safety Profile

Poison 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 Methods

Purify 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.]

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