Description
ChemicalBook > CAS DataBase List > Benzyl mercaptan

Benzyl mercaptan

Description
Product Name
Benzyl mercaptan
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
Formula Weight
124.2
MOL File
100-53-8.mol
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Benzyl mercaptan Property

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)
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Safety

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 Data
100-53-8(Hazardous Substances Data)
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H302Harmful if swallowed

H330Fatal if inhaled

H410Very toxic to aquatic life with long lasting effects

Precautionary statements

P260Do not breathe dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P273Avoid release to the environment.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
W214701
Product name
Benzyl mercaptan
Purity
99%, FG
Packaging
1kg
Price
$244
Updated
2024/03/01
Sigma-Aldrich
Product number
W214701
Product name
Benzyl mercaptan
Purity
99%, FG
Packaging
10Kg
Price
$2020
Updated
2024/03/01
Sigma-Aldrich
Product number
1062074
Product name
Benzyl mercaptan
Purity
United States Pharmacopeia (USP) Reference Standard
Packaging
5x0.5ml
Price
$188
Updated
2024/03/01
TCI Chemical
Product number
T0287
Product name
Benzyl Mercaptan
Purity
>96.0%(GC)
Packaging
25g
Price
$41
Updated
2024/03/01
TCI Chemical
Product number
T0287
Product name
Benzyl Mercaptan
Purity
>96.0%(GC)
Packaging
100g
Price
$100
Updated
2024/03/01
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Benzyl mercaptan Chemical Properties,Usage,Production

Description

Benzyl 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 Properties

Cream to white, moist crystals; musty odor. Insoluble in water; soluble in alcohol or ether. There are three isomers with different boiling points.

Chemical Properties

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

Occurrence

Reported found in coffee.

Uses

Intermediate, bacteriostat.

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.

Definition

ChEBI: 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.

Preparation

From benzyl chloride and potassium hydrosulfide.

Aroma threshold values

Detection: 0.19 to 2.6 ppb.

Taste threshold values

Taste 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

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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Benzyl mercaptan Suppliers

Jinan Winsor Pharmaceutical Co., Ltd
Tel
152-64160071 15318402391
Fax
QQ:1790106626
Email
1615850970@qq.com
Country
China
ProdList
476
Advantage
58
Meryer (Shanghai) Chemical Technology Co., Ltd.
Tel
4006608290; 18621169109
Fax
86-21-61259102
Email
market03@meryer.com
Country
China
ProdList
40241
Advantage
62
Alfa Aesar
Tel
400-6106006
Fax
021-67582001/03/05
Email
saleschina@alfa-asia.com
Country
China
ProdList
30132
Advantage
84
TCI (Shanghai) Development Co., Ltd.
Tel
021-67121386
Fax
021-67121385
Email
Sales-CN@TCIchemicals.com
Country
China
ProdList
24539
Advantage
81
Beijing dtftchem Technology Co., Ltd.
Tel
010-60275820 13031183356
Fax
010-60270825
Email
elainezt@sina.com
Country
China
ProdList
1392
Advantage
62
Energy Chemical
Tel
021-021-58432009 400-005-6266
Fax
021-58436166
Email
sales8178@energy-chemical.com
Country
China
ProdList
44751
Advantage
61
Capot Chemical Co., Ltd
Tel
+86 (0) 571 85 58 67 18
Fax
0086-571-85864795
Email
sales@capotchem.com
Country
China
ProdList
18217
Advantage
66
Beijing Ouhe Technology Co., Ltd
Tel
010-82967028 13552068683
Fax
+86-10-82967029
Email
2355560935@qq.com
Country
China
ProdList
12426
Advantage
60
JinYan Chemicals(ShangHai) Co.,Ltd.
Tel
13817811078
Fax
86-021-50426522,50426273
Email
sales@jingyan-chemical.com
Country
China
ProdList
9984
Advantage
60
Jia Xing Isenchem Co.,Ltd
Tel
0573-85285100 18627885956
Fax
0573-85285100
Email
isenchem@163.com
Country
China
ProdList
9555
Advantage
66
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View Lastest Price from Benzyl mercaptan manufacturers

Hebei Duling International Trade Co. LTD
Product
Benzyl mercaptan 100-53-8
Price
US $1.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
300MT/month
Release date
2022-11-23
Hebei Mojin Biotechnology Co., Ltd
Product
Benzyl mercaptan 100-53-8
Price
US $0.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
50000KG/month
Release date
2023-07-03
Hebei Guanlang Biotechnology Co,.LTD
Product
Benzyl mercaptan 110-53-8
Price
US $9.10/KG
Min. Order
1KG
Purity
99.%
Supply Ability
10 ton
Release date
2021-08-18

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