Hexadecanethiol
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Hexadecanethiol
structure -
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CAS No:
2917-26-2
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Formula:
C16H34S
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Chemical Name:
Hexadecanethiol
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Synonyms:
1-Hexadecanethiol;Hexadecanethiol;Cetyl mercaptan;n-Hexadecyl mercaptan;Hexadecyl mercaptan;n-Hexadecanethiol;n-Hexadecylthiol;Hexadecylthiol;1-Mercaptohexadecane;NSC 229611;NSC 57866;n-Hexadecyl thiolate;1-Hexadecylthiol
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CAS No:
Description
Clear colorless liquid or white to pale yellow
1-hexadecanethiol appears as colorless liquid or white solid (below 19° C) with a strong unpleasant odor. Density (as liquid at 25°C): 0.83 g/cm3.|LIQUID WITH CHARACTERISTIC ODOUR.|Colorless liquid or solid (below 64-68°F) with a strong odor.
1-hexadecanethiol appears as colorless liquid or white solid (below 19° C) with a strong unpleasant odor. Density (as liquid at 25°C): 0.83 g/cm3.
Hexadecanethiol Basic Attributes
258.51
258.51
1748495
220-846-6
QR98QIO1QL
0025
229568|57866
1228|3071
DTXSID6062709
29309070
Characteristics
1
8.69
Clear colorless or white to pale-yellow Liquid or Waxy Solid
0.84 g/cm3
18 °C
334 °C
215 °F
1.460
Insoluble
2-8°C
Vapour pressure, Pa at 20°C: 10
Relative vapour density (air = 1): 8.9
Class IIIB Combustible Liquid: Fl.P. at or above 200°F.
No rapid reaction with air No rapid reaction with water
Sulfides, Organic
1-HEXADECANETHIOL Class IIIB is non-flammable but combustible (flash point exceeds 200°F). Incompatible with oxidizing agents, strong acids and strong bases, alkali metals, and nitric acid. Can react with water, steam or acids to produce toxic and flammable vapors. Reacts violently with powerful oxidizing agents such as calcium hypochlorite (Ca(OCl)2) to generate SOx. Reacts with hydrides to form flammable H2 gas; reacts with halogenated hydrocarbons to yield hydrogen halides. Reacts exothermically with aldehydes. Emits toxic compounds of sulfur when when heated to decomposition.
Class IIIB Combustible Liquid: Fl.P. at or above 200°F.
Safety Information
I; II; III
6.1
UN 3334
3
36
26
Xi
Separated from strong oxidants, reducing agents, metals and acids.
Stable under normal temperatures and pressures.
P305 + P351 + P338
H319-H413
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. 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. Those substances designated with a (P) 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. (ERG, 2016)|Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P273, P280, P305+P351+P338, P337+P313, and P501|Aggregated GHS information provided by 42 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]: CAUTION: All these products have a very low flash point: Use of water spray when fighting fire may be inefficient. SMALL FIRE: Dry chemical, CO2, water spray or alcohol-resistant foam. LARGE FIRE: Water spray, fog or alcohol-resistant foam. Move containers from fire area if you can do it without risk. Dike fire-control water for later disposal; do not scatter the material. Use water spray or fog; do not use straight streams. FIRE INVOLVING TANKS OR CAR/TRAILER LOADS: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2016)|Use foam, carbon dioxide, powder.
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. SPILL: Increase, in the downwind direction, as necessary, the isolation distance shown above. FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]: Fully encapsulating, vapor-protective clothing should be worn for spills and leaks with no fire. ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. SMALL SPILL: Absorb with earth, sand or other non-combustible material and transfer to containers for later disposal. Use clean, non-sparking tools to collect absorbed material. LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2016)
Skin: Wear appropriate personal protective clothing to prevent skin contact. Eyes: Wear appropriate eye protection to prevent eye contact. Wash skin: The worker should immediately wash the skin when it becomes contaminated. Remove: Work clothing that becomes wet or significantly contaminated should be removed and replaced. Change: Workers whose clothing may have become contaminated should change into uncontaminated clothing before leaving the work premise. (NIOSH, 2016)|(See protection codes)
Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Carefully collect remainder. Then store and dispose of according to local regulations.
Separated from strong oxidants, reducing agents, metals and acids.
A harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C.
The substance is mildly irritating to the eyes, skin and respiratory tract.
NO open flames.
Use ventilation.
Protective gloves.
Wear safety goggles or eye protection in combination with breathing protection.
Drug Information
Exposure Routes: inhalation, skin absorption, ingestion, skin and/or eye contact Symptoms: Irritation eyes, skin, respiratory system; headache, dizziness, lassitude (weakness, exhaustion), cyanosis, nausea, convulsions Target Organs: Eyes, skin, respiratory system, central nervous system, blood (NIOSH, 2016)
Eye: If this chemical contacts the eyes, immediately wash the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately. Contact lenses should not be worn when working with this chemical. Skin: If this chemical contacts the skin, immediately wash the contaminated skin with soap and water. If this chemical penetrates the clothing, immediately remove the clothing, wash the skin with soap and water, and get medical attention promptly. Breathing: If a person breathes large amounts of this chemical, move the exposed person to fresh air at once. If breathing has stopped, perform mouth-to-mouth resuscitation. Keep the affected person warm and at rest. Get medical attention as soon as possible. Swallow: If this chemical has been swallowed, get medical attention immediately. (NIOSH, 2016)|(See procedures)
Fresh air, rest.
Remove contaminated clothes. Rinse and then wash skin with water and soap.
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
1-hexadecanethiol
inhalation, skin absorption, ingestion, skin and/or eye contact
irritation eyes, skin, respiratory system; headache, dizziness, lassitude (weakness, exhaustion), cyanosis, nausea, convulsions
Cough. Headache. Nausea.
Redness.
Redness.
Eyes, skin, respiratory system, central nervous system, blood
Hexadecanethiol Use and Manufacturing
Intermediate, synthetic-rubber processing, surface-active agent, corrosion inhibitor.
1-Hexadecanethiol: ACTIVE
Computed Properties
Molecular Weight:258.5
XLogP3:8.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:14
Exact Mass:258.23812226
Monoisotopic Mass:258.23812226
Topological Polar Surface Area:1
Heavy Atom Count:17
Complexity:123
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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