| Identification | More | [Name]
Thiophenol | [CAS]
108-98-5 | [Synonyms]
AKOS BBS-00004420
BENZENETHIOL
FEMA 3616
MERCAPTOBENZENE
PHENYL MERCAPTAN
THIOPHENOL
benzenethiolnylchloride
mercapto-benzen
Phenol, thio-
Phenylthiol
Rcra waste number P014
rcrawastenumberp014
Thiofenol
thio-pheno
thiophenol00
USAF XR-19
usafxr-19
Thiophenol/Benzenethiol
THIOPHENOL (CHINESE)
BENZENETHIOL 98+% | [EINECS(EC#)]
203-635-3 | [Molecular Formula]
C6H6S | [MDL Number]
MFCD00004826 | [Molecular Weight]
110.18 | [MOL File]
108-98-5.mol |
| Chemical Properties | Back Directory | [Appearance]
Phenyl mercaptan is a water white liquid. Repulsive, penetrating, rotten cabbage, garlic-like odor. | [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)
| [FEMA ]
3616 | [refractive index ]
n20/D 1.588(lit.)
| [Fp ]
123 °F
| [storage temp. ]
Store at RT. | [solubility ]
DMSO, Ethyl Acetate | [form ]
Liquid | [pka]
6.6(at 25℃) | [color ]
Clear colorless to slightly yellow | [Odor]
Unpleasant | [Stability:]
Stable. Flammable. May form explosive mixtures with air. Stench. Incompatible with strong oxidizing agents. | [Odor Type]
meaty | [Water Solubility ]
insoluble | [Sensitive ]
Stench | [Detection Methods]
GC | [JECFA Number]
525 | [Merck ]
14,9355 | [BRN ]
506523 | [Dielectric constant]
4.4（25℃） | [Exposure limits]
TLV-TWA 0.5 ppm (～2.5 mg/m3 ) (ACGIH). | [LogP]
2.33 | [Uses]
Pharmaceutical synthesis. | [CAS DataBase Reference]
108-98-5(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzenethiol(108-98-5) | [EPA Substance Registry System]
108-98-5(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
T+,T | [Risk Statements ]
R10:Flammable.
R24/25:Toxic in contact with skin and if swallowed .
R26:Very Toxic by inhalation.
R41:Risk of serious damage to eyes.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S16:Keep away from sources of ignition-No smoking . | [OEL]
Ceiling: 0.1 ppm (0.5 mg/m3) [15-minute] | [RIDADR ]
UN 2337 6.1/PG 1
| [WGK Germany ]
3
| [RTECS ]
DC0525000
| [F ]
10-13-23 | [Autoignition Temperature]
450 °C | [Hazard Note ]
Toxic/Stench | [TSCA ]
Yes | [HazardClass ]
6.1 | [PackingGroup ]
I | [HS Code ]
29309099 | [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 | [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. |
| Hazard Information | Back Directory | [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. | [Reactivity Profile]
PHENYL MERCAPTAN(108-98-5) reacts with acids to generate toxic fumes of oxides of sulfur. [Lewis, 3rd ed., 1993, p. 1021]. Reacts exothermically with strong oxidizing agents. | [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. | [Health Hazard]
Marked potential for causing eye changes. May cause death | [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. | [Fire Hazard]
When heated to decomposition or on contact with acids, PHENYL MERCAPTAN 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. | [First aid]
If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 30 minutes, occasionally lifting upper and lower lids. If available, flush eyes with large amounts of 0.5% silver nitrate, followed immediately by very large amounts of water. Continue water for 15 minutes. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Speed in removing material from skin is of extreme importance. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit. Medical observation is recommended for 2448 hours after breathing overexposure, as pulmonary edema may be delayed. As first aid for pneumonitis or pulmonary edema, a doctor or authorized paramedic may consider administering a drug or other inhalation therapy. | [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. | [Chemical Properties]
Benzenethiol has a repulsive, penetrating, garlic-like odor. | [Chemical Properties]
colorless liquid | [Chemical Properties]
Phenyl mercaptan is a water white liquid. Repulsive, penetrating, rotten cabbage, garlic-like odor. | [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. | [Occurrence]
Reported found in cooked/boiled beef. | [Definition]
ChEBI: A thiol in which the sulfanyl group is attached to a phenyl group. | [Preparation]
By reduction of benzenesulfonyl chloride with zinc dust in sulfuric acid. | [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 | [Hazard]
Skin irritant. |
|