Benzyl mercaptan

ChemicalBook > CAS DataBase List > 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
F: 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.]

Benzyl mercaptan Preparation Products And Raw materials

Raw materials

2-Benzyl-2-thiopseudourea hydrochloride POTASSIUM HYDROGENSULFIDE, Benzyl chloride dilute sulphuric acid Desiccant Formaldehyde Thiourea

Preparation Products

4-(BENZYLTHIO)-3-NITROBENZALDEHYDE BENZYL METHYL SULFIDE DIMEPIPERATE Dibenzyl disulfide Nicosulfuron Pyridaben E.C. Pyridaben S-METHYL-S-BENZYL SULFOXIMINE

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View Lastest Price from Benzyl mercaptan manufacturers

Hebei Weibang Biotechnology Co., Ltd

Product: Benzyl mercaptan 100-53-8
Price: US $1.00/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 10 mt
Release date: 2024-11-14

R&D Scientific Inc.

Product: Phenylmethanethiol 100-53-8
Price: US $990.00/Kg
Min. Order: 1Kg
Purity: 98
Supply Ability: 500 Kg
Release date: 2024-07-25

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

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