1-Octanethiol

  • 1-Mercaptoctane
  • Octyl mercaptan
  • Octylthiol
Formula
CH3(CH2)7SH
Structure
Description
Colorless liquid with an offensive odor.
Uses
Polymerization conditioner, in synthesis.

Registry Numbers and Inventories.
CAS
111-88-6
EC (EINECS/ELINCS)
203-918-1
EC Class
dangerous for the environment
R 36/38
S 23 26 36
UN (DOT)
3336
Beilstein/Gmelin
1733101
Beilstein Reference
4-01-00-01767
Swiss Giftliste 1
G-8018
Canada DSL/NDSL
DSL
US TSCA
Listed
Austrailia AICS
Listed
New Zealand
Listed
Japan ENCS (MITI)
Listed
Korea ECL
Listed

Properties.
Formula
C8H18S
Formula mass
146.30
Melting point, °C
-49
Boiling point, °C
199
Vapor pressure, mmHg
0.49 (25 C)
Vapor density (air=1)
5.04
Saturation Concentration
2040 ppm at 37.7 C (calculated)
Density
0.859 g/cm3 (0 C)
Solubility in water
Insoluble
Viscosity
1.97 cp (0 C)
Surface tension
28.02 g/s2 (24 C)
Refractive index
1.4540 (20 C)
pKa/pKb
10.64 (pKa)
Partition coefficient, pKow
4.44
Heat of vaporization
45.4 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.
B3 D1B
Handling
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Do not breathe dust, vapor, mist, or gas. 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. Provide ventilation.
Disposal code
6
Stability
Stable under normal temperatures and pressures.
Incompatibilities
Strong acids, alkali metals.
Decomposition
Carbon monoxide, oxides of sulfur, carbon dioxide, hydrogen sulfide.

Fire.
Flash Point,°C
68
Autoignition, °C
240
Lower exp. limit, %
0.8
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. Containers may explode when heated. Extinguishing media: Use water spray to cool fire-exposed containers. Cool containers with flooding quantities of water until well after fire is out. In case of fire use water spray, dry chemical, carbon dioxide, or appropriate foam.
Fire potential
HIGHLY FLAMMABLE.
Hazards
Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion and poison hazard indoors, outdoors or in sewers. May polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.
Combustion products
Fire will produce irritating, corrosive and/or toxic gases.
Health
2
 
Flammability
2
 
 
Reactivity
1
 

Health.
Poison_Class
4
Exposure effects
   Ingestion
May cause digestive tract disturbances. May be harmful if swallowed.
   Inhalation
May be fatal if inhaled. May cause respiratory tract irritation.
   Skin
May cause skin irritation.
   Eyes
May cause 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. 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
3336
Response guide
Hazard class
3
Packing Group
I; II; III
 
HS Code
2930 90 70
 
Std. Transport #
4912599