Phenyl mercaptan

  • Thiophenol
  • Benzenethiol
  • Mercaptobenzene
Formula
C6H5SH
Structure
Description
Water-white to light yellow liquid with a penetrating, repulsive, nauseating odor resembling strong garlic or burnt rubber.
Uses
Chemical intermediate for carbophenothion insecticide & acaricide, fungicides, eg, fonofos, chemical intermediate for its sodium salt, alkyl phenyl sulfides, pharmaceuticals, pentachlorothiophenol & its zinc salt & intermediate for polymers (eg, with formaldehyde, other phenols).

Registry Numbers and Inventories.
CAS
108-98-5
EC (EINECS/ELINCS)
203-635-3
EC Class
flammable, very toxic, irritant
R 10 24/25 26 34
S 26 28 36/37/39 45
RTECS
DC0525000
RTECS class
Reproductive Effector; Primary Irritant
UN (DOT)
2337
Merck
12,9492
Beilstein/Gmelin
506523
Beilstein Reference
4-06-00-01463
RCRA
P014
Swiss Giftliste 1
G-1239
Canada DSL/NDSL
DSL
US TSCA
Listed
Austrailia AICS
Listed
New Zealand
Listed
Japan ENCS (MITI)
Listed
Korea ECL
Listed

Properties.
Formula
C6H6S
Formula mass
110.18
Melting point, °C
-15
Boiling point, °C
169
Vapor pressure, mmHg
2 (25 C)
Vapor density (air=1)
3.8
Saturation Concentration
0.18% at 20 C
Odor Threshold Odor threshold 0.0012 mg/m3
Critical temperature
415
Critical pressure
35.3
Density
1.0728 g/cm3 (20 C)
Solubility in water
Slightly soluble
Viscosity
1.25 cp (22 C)
Surface tension
39.0 g/s2
Refractive index
1.5879 (24 C)
pKa/pKb
6.62 (pKa)
Partition coefficient, pKow
2.52
Heat of fusion
11.5 kJ/mol
Heat of vaporization
39.9 kJ/mol
Heat of combustion
-3886 kJ/mol

Hazards and Protection.
Storage
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
B3 D1A D2B
Handling
Wash thoroughly after handling. Use with adequate ventilation. Ground and bond containers when transferring material. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Avoid contact with heat, sparks and flame. Do not ingest or inhale. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Protection
Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure.
Respirators
Follow the OSHA respirator regulations found in 29CFR 1910.134 or European Standard EN 149. Always use a NIOSH or European Standard EN 149 approved respirator when necessary.
Small spills/leaks
Absorb spill with inert material, (e.g., dry sand or earth), then place into a chemical waste container. Clean up spills immediately, using the appropriate protective equipment. Remove all sources of ignition.
Disposal code
9
Stability
Stable under normal temperatures and pressures.
Incompatibilities
Oxidizing agents, hydrogen peroxide, iron (III) sulfate, sulfuric acid
Decomposition
Nitrogen oxides, carbon monoxide, carbon dioxide.

Fire.
Flash Point,°C
50
Lower exp. limit, %
1.2
Fire fighting
Wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Use water spray to keep fire-exposed containers cool. Containers may explode in the heat of a fire. Containers may explode when heated. Extinguishing media: Use water spray to cool fire-exposed containers. Water may be ineffective. Do NOT use straight streams of water. For large fires, use water spray, fog or regular foam. For small fires, use dry chemical, carbon dioxide, water spray or regular foam. Cool containers with flooding quantities of water until well after fire is out.
Fire potential
Flammable. Not combustible.
Hazards
When heated to decomposition or on contact with acids, it 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.
Combustion products
Fire will produce irritating, corrosive and/or toxic gases.
Health
2
 
Flammability
2
 
 
Reactivity
0
 

Health.
Poison_Class
2
Exposure effects
Because of this compound's extremely low olfactory threshold, exposures may be substantially lower than clinical signs may indicate. In animals at higher levels of exposure, respiratory rate increases initally followed by cyanosis, respiratory depression, and death. CNS excitation, followed by CNS depression, occurred in animals. Thiophenol had a pronounced soporific (sleep-inducing) effect. A NOAEL for developmental toxicity was > 40 mg/kg/day in the rabbit. Post-implantation mortality was observed in rats.
   Ingestion
Harmful if swallowed. May cause irritation of the digestive tract. Intoxication may include weight loss, diarrhea, weakness, ataxia, and unconsciousness.
   Inhalation
Vapors may cause dizziness or suffocation. Exposure may give rise to flushing of face, skin rash, an increase in heart and respiration rates, headaches, giddiness, nausea, and vomiting.
   Skin
Causes severe skin irritation.
   Eyes
Causes eye irritation.

First aid
 
   Ingestion
If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
   Inhalation
Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
   Skin
Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes.
   Eyes
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.

Transport.
UN number
2337
Response guide
Hazard class
6.1
PRTC
T
Packing Group
III
 
USCG CHRIS Code
BZT
 
HS Code
2930 90 70
 
Std. Transport #
4921413