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Thiophenol

Product Name
Thiophenol
CAS No.
108-98-5
Chemical Name
Thiophenol
Synonyms
BENZENETHIOL;PHENYL MERCAPTAN;Phenylthiol;Thiophenol/Benzenethiol;Thiofenol;usafxr-19;Thiohenol;FEMA 3616;thio-pheno;THIOPHENOL
CBNumber
CB3852774
Molecular Formula
C6H6S
Formula Weight
110.18
MOL File
108-98-5.mol
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Thiophenol Property

Melting point:
-15 °C
Boiling point:
169 °C(lit.)
Density 
1.078
vapor density 
3.8 (vs air)
vapor pressure 
1.4 mm Hg ( 20 °C)
refractive index 
n20/D 1.588(lit.)
FEMA 
3616 | BENZENETHIOL
Flash point:
123 °F
storage temp. 
Store at RT.
solubility 
DMSO, Ethyl Acetate
pka
6.6(at 25℃)
form 
Liquid
color 
Clear colorless to slightly yellow
Odor
Unpleasant
Odor Type
meaty
Water Solubility 
insoluble
Sensitive 
Stench
Merck 
14,9355
JECFA Number
525
BRN 
506523
Exposure limits
TLV-TWA 0.5 ppm (~2.5 mg/m3 ) (ACGIH).
Dielectric constant
4.4(25℃)
Stability:
Stable. Flammable. May form explosive mixtures with air. Stench. Incompatible with strong oxidizing agents.
LogP
2.33
CAS DataBase Reference
108-98-5(CAS DataBase Reference)
NIST Chemistry Reference
Benzenethiol(108-98-5)
EPA Substance Registry System
Thiophenol (108-98-5)
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Safety

Hazard Codes 
T+,T
Risk Statements 
10-24/25-26-41-36/37/38
Safety Statements 
23-26-28-36/37/39-45-28A-16
RIDADR 
UN 2337 6.1/PG 1
WGK Germany 
3
RTECS 
DC0525000
10-13-23
Autoignition Temperature
450 °C
Hazard Note 
Toxic/Stench
TSCA 
Yes
HazardClass 
6.1
PackingGroup 
I
HS Code 
29309099
Hazardous Substances Data
108-98-5(Hazardous Substances Data)
Toxicity
bird - wild,LD50,oral,24mg/kg (24mg/kg),Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H226Flammable liquid and vapour

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

H361Suspected of damaging fertility or the unborn child

H372Causes damage to organs through prolonged or repeated exposure

H410Very toxic to aquatic life with long lasting effects

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P273Avoid release to the environment.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
T32808
Product name
Thiophenol
Purity
97%
Packaging
100g
Price
$72.3
Updated
2024/03/01
Sigma-Aldrich
Product number
09286
Product name
Thiophenol
Purity
analytical standard
Packaging
5ml
Price
$61.4
Updated
2022/05/15
Sigma-Aldrich
Product number
09286
Product name
Thiophenol
Purity
analytical standard
Packaging
25mL
Price
$249
Updated
2022/05/15
Alfa Aesar
Product number
A15916
Product name
Thiophenol
Purity
99+%
Packaging
50g
Price
$35.8
Updated
2023/06/20
Alfa Aesar
Product number
A15916
Product name
Thiophenol
Purity
99+%
Packaging
250g
Price
$76.1
Updated
2023/06/20
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Thiophenol Chemical Properties,Usage,Production

Chemical Properties

colorless liquid

Chemical Properties

Phenyl mercaptan is a water white liquid. Repulsive, penetrating, rotten cabbage, garlic-like odor.

Chemical Properties

Benzenethiol has a repulsive, penetrating, garlic-like odor.

Occurrence

Reported found in cooked/boiled beef.

Uses

In the production of pesticides, polymers, and pharmaceuticals; as a food additive

Uses

Thiophenol is used as a mosquito larvicideand as an intermediate in organic synthesis.It is effective in reducing peroxide formationin jet fuels (Watkins et al. 1989).

Uses

Pharmaceutical synthesis.

Preparation

By reduction of benzenesulfonyl chloride with zinc dust in sulfuric acid.

Definition

ChEBI: A thiol in which the sulfanyl group is attached to a phenyl group.

Aroma threshold values

Detection: 10 to 50 ppb

Synthesis Reference(s)

Chemical and Pharmaceutical Bulletin, 35, p. 1770, 1987 DOI: 10.1248/cpb.35.1770
The Journal of Organic Chemistry, 16, p. 946, 1951 DOI: 10.1021/jo01146a019
Tetrahedron Letters, 21, p. 1677, 1980 DOI: 10.1016/S0040-4039(00)77784-7

General Description

A clear liquid with a repulsive odor. Boiling point 168.3°C. Insoluble in water and denser than water. Very toxic by ingestion, skin absorption, and by inhalation. Used as a chemical intermediate and in mosquito control.

Air & Water Reactions

Flammable. Oxidizes upon exposure to air, especially when dissolved in alcoholic ammonia, to form diphenyl disulfide, C6H5SSC6H5 [Merck 11th ed. 1989]. Is supplied under an atmosphere of nitrogen. Insoluble in water.

Reactivity Profile

Thiophenol reacts with acids to generate toxic fumes of oxides of sulfur. [Lewis, 3rd ed., 1993, p. 1021]. Reacts exothermically with strong oxidizing agents.

Hazard

Skin irritant.

Health Hazard

Marked potential for causing eye changes. May cause death

Health Hazard

Animal toxicity data show thiophenol to behighly toxic; the oral LD50 value in testanimals is <100 mg/kg. Its irritant actionon rabbits’ eyes and skin is severe. Thiophenol can enter the body by ingestion,absorption of the liquid through the skin,and inhalation of vapors. In humans, thetoxic symptoms include restlessness, incoordination, muscle weakness, headache, dizziness, cyanosis, lethargy, sedation, respiratorydepression, and coma. Death may result fromhigh doses. Repeated exposure to thiophenol vapors caused injury to the lung, liver,and kidneys in mice. Thiophenol did notadversely affect the growth, viability or morphological development of the offspring at adose of 40 mg/kg/day in rabbits (NTP 2005).
LC50 value, inhalation (mice): 28 ppm/4 h
LD50 value, oral (rats): 46 mg/kg
LD50 value, skin (rats): 300 mg/kg.

Fire Hazard

When heated to decomposition or on contact with acids, Thiophenol emits toxic fumes of sulfur oxides. May be ignited by heat, sparks or flames. Container may explode in heat of fire. Vapor explosion and poison hazard indoors, outdoors or in sewers. Unstable, oxidizes in air. Avoid contact with acids.

Safety Profile

Poison by ingestion, inhalation, skin contact, and intraperitoneal routes. A severe eye irritant. Can cause severe dermatitis. Exposure may cause headache and dminess. When heated to decomposition or on contact with acids it emits toxic fumes of SOx. See also MERCAPTANS

Potential Exposure

Phenyl mercaptan is used as a chemical intermediate in pesticide manufacture; as a mosquito larvicide. It is used in solvent formulations for the removal of polysulfide sealants.

Shipping

UN2337 Phenyl mercaptan, Hazard class: 6.1; Labels: 6.1-Poisonous materials, 3-Flammable liquid, Inhalation zone B.

Incompatibilities

At normal room temperature may vaporize forming explosive mixture with air. Violent reaction with strong oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides, calcium hypochlorite, alkali metals. Oxidizes on exposure to air; supplied under nitrogen.

Waste Disposal

Consult with environmental regulatory agencies for guidance on acceptable disposal practices. Generators of waste containing this contaminant (Consult with environmental regulatory agencies for guidance on acceptable disposal practices. Generators of waste containing this contaminant (≥100 kg/mo) must conform with EPA regulations governing storage, transportation, treatment, and waste disposal. Dissolve in flammable solvent and burn in furnace equipped with afterburner and alkaline scrubber. 100 kg/mo) must conform with EPA regulations governing storage, transportation, treatment, and waste disposal. Dissolve in flammable solvent and burn in furnace equipped with afterburner and alkaline scrubber.

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Thiophenol Suppliers

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