1-Hexadecanethiol

  • Hexadecyl mercaptan
  • 1-Mercaptohexadecane
  • Cetyl mercaptan
  • Hexadecane-1-thiol
Formula
CH3(CH2)15SH
Structure
Description
Colorless liquid, strong odor.
Uses
Used as a polymerization conditioner; intermediate in organic synthesis; used in tarnish-preventing agents.

Registry Numbers and Inventories.
CAS
2917-26-2
EC (EINECS/ELINCS)
220-846-6
UN (DOT)
2810
Beilstein/Gmelin
1748495
Beilstein Reference
4-01-00-01881
Swiss Giftliste 1
G-8025
Canada DSL/NDSL
NDSL
US TSCA
Listed
Austrailia AICS
Listed
New Zealand
Listed
Japan ENCS (MITI)
Listed

Properties.
Formula
C16H34S
Formula mass
258.51
Melting point, °C
18 - 20
Boiling point, °C
335
Vapor pressure, mmHg
0.0002 (25 C)
Vapor density (air=1)
8.9
Density
0.8556 g/cm3 (20 C)
Solubility in water
Insoluble
Refractive index
1.4630 (20 C)
pKa/pKb
10.57 (pKa)
Partition coefficient, pKow
8.69
Heat of vaporization
55.5 kJ/mol

Hazards and Protection.
Storage
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Insufficient information
Handling
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Use only in a chemical fume hood.
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.
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. Provide ventilation.
Disposal code
6
Stability
Stable under normal temperatures and pressures.
Incompatibilities
Strong acids, strong bases, oxidizing agents, reducing agents, alkali metals.
Decomposition
Carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, hydrogen sulfide.

Fire.
Flash Point,°C
99
Autoignition, °C
260
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. Extinguishing media: Use water spray to cool fire-exposed containers. Use foam, dry chemical, or carbon dioxide. Water may be ineffective. Use agent most appropriate to extinguish fire.
Fire potential
Combustible material: may burn but does not ignite readily.
Hazards
When heated, vapors may form explosive mixtures with air: indoors, outdoors, and sewers explosion hazards.
Combustion products
During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Health
1
 
Flammability
1
 
 
Reactivity
0
 

Health.
Exposure limit(s)
NIOSH REL: C 0.5 ppm (5.3 mg/m3) 15-minute
Poison_Class
4
Exposure effects
   Ingestion
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May cause nausea and vomiting.
   Inhalation
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May cause nausea, dizziness, and headache.
   Skin
May cause skin irritation.
   Eyes
May cause eye irritation.

First aid
 
   Ingestion
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
   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.

Transport.
UN number
2810
Response guide
Hazard class
6.1
Packing Group
I; II; III
 
HS Code
2930 90 70