Benzyl mercaptan

  • Thiobenzyl alcohol
  • Benzyl mercaptain
  • Benzylhydrosulfide
  • alpha-Toluenethiol
Formula
C6H5CH2SH
Structure
Description
Colorless liquid, repulsive odor like leek or garlic, lachrymator.
Uses
Odorant, flavors.

Registry Numbers and Inventories.
CAS
100-53-8
EC (EINECS/ELINCS)
202-862-5
EC Class
harmful, irritant
R 22 23 36/37/38 50/53
S 23 26 36/37/39 45 60 61
RTECS
XT8650000
RTECS class
Tumorigen; Primary Irritant
UN (DOT)
2810
Merck
12,9456
Beilstein/Gmelin
605864
Beilstein Reference
4-06-00-02632
Swiss Giftliste 1
G-2160
Canada DSL/NDSL
DSL
US TSCA
Listed
Austrailia AICS
Listed
New Zealand
Listed
Japan ENCS (MITI)
Listed

Properties.
Formula
C7H8S
Formula mass
124.21
Melting point, °C
29
Boiling point, °C
195
Vapor pressure, mmHg
0.6 (25 C)
Vapor density (air=1)
4.28
Critical temperature
416
Critical pressure
31.21
Density
1.058 g/cm3 (19 C)
Solubility in water
Insoluble
Surface tension
36.84 g/s2 (41 C)
Refractive index
1.577 (17 C)
pKa/pKb
9.67 (pKa)
Partition coefficient, pKow
2.74
Heat of vaporization
41.4 kJ/mol

Hazards and Protection.
Storage
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store under an inert atmosphere.
B3 D1A
Handling
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. 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. Avoid ingestion and inhalation. Use with adequate ventilation. 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
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant a respirator's use. 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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, using the appropriate protective equipment. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation.
Disposal code
6
Stability
Stable under normal temperatures and pressures.
Incompatibilities
Strong oxidizing agents, strong bases.
Decomposition
Carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, hydrogen sulfide.

Fire.
Flash Point,°C
70
Autoignition, °C
270
Fire fighting
Wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Combustible Liquid. May polymerize explosively when involved in a fire. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. To extinguish fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Do NOT get water inside containers. Cool containers with flooding quantities of water until well after fire is out.
Fire potential
Moderate fire hazard when exposed to heat or flame.
Hazards
When heated, vapors may form explosive mixtures with air: indoors, outdoors, and sewers explosion hazards.
Combustion products
Fire may produce irritating, corrosive and/or toxic gases.
Health
2
 
Flammability
2
 
 
Reactivity
1
 

Health.
Poison_Class
3
Exposure effects
   Ingestion
Harmful if swallowed. May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
   Inhalation
May cause respiratory tract irritation. Effects of inhalation may be delayed. May cause irritation of the mucous membranes.
   Skin
May cause skin irritation. Harmful if absorbed through the skin. Effects of contact may be delayed.
   Eyes
Causes eye irritation. Lachrymator.

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
Get medical aid immediately. Remove from exposure to fresh air immediately. If breathing is difficult, give oxygen. DO NOT use mouth-to-mouth respiration. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
   Skin
Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
   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
2810
Response guide
Hazard class
6.1
Packing Group
I; II; III
 
HS Code
2930 90 70