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1-Undecanethiol

1-Undecanethiol structure

1-Undecanethiol 

structure
  • CAS No:

    5332-52-5

  • Formula:

    C11H24S

  • Chemical Name:

    1-Undecanethiol

  • Synonyms:

    1-Undecanethiol;Undecyl mercaptan;1-Mercaptoundecane;NSC 4031;874746-59-5

  • Categories:

    Organic Chemistry  >  Coordination Complexes

Description

liquid


1-undecanethiol is a liquid with a bad smell. Mp: -3°C; bp: 259.5°C. Density: 0.841 g cm-3 at 25°C.|LIQUID WITH CHARACTERISTIC ODOUR.|Liquid.


1-undecanethiol is a liquid with a bad smell. Mp: -3°C; bp: 259.5°C. Density: 0.841 g cm-3 at 25°C.

1-Undecanethiol Basic Attributes

188.37300

188.37

YY1144Q77A

1621

4031

1228

DTXSID4074564

2930909090

Characteristics

38.80000

4.44700

1-undecanethiol is a liquid with a bad smell. Mp: -3°C; bp: 259.5°C. Density: 0.841 g cm-3 at 25°C.

0.8432 g/cm3

-3 °C

257.4 °C

220 °F

n20/D 1.459(lit.)

Insoluble

Combustible Liquid

Explosive limits , vol% in air: 0.6-?

No rapid reaction with air No rapid reaction with water

Sulfides, Organic

1-UNDECANETHIOL is 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 HX. Reacts exothermically with aldehydes. Emits toxic compounds of sulfur when when heated to decomposition.

Combustible Liquid

The vapour is heavier than air and may travel along the ground; distant ignition possible.

Safety Information

UN 1228 3/PG 3

3

36/37/38

S26-S36/37/39

Xi

Separated from strong oxidants, strong bases, strong acids and strong reducing agents.

Stable. Incompatible with strong oxidizing agents.

P261-P305 + P351 + P338

H315-H319-H335

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|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 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 water spray, powder, alcohol-resistant foam, carbon dioxide.

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 should be immediately removed due to its flammability hazard(i.e. for liquids with flash point Change: No recommendation is made specifying the need for the worker to change clothing after the work shift. (NIOSH, 2016)|(See protection codes)

Explosive limits , vol% in air: 0.6-?

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

Separated from strong oxidants, strong bases, strong acids and strong reducing agents.

No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.

The substance is irritating to the eyes, skin and respiratory tract.

NO open flames.

Use ventilation.

Protective gloves.

Wear safety spectacles.

Drug Information

Exposure Routes: inhalation, skin absorption, ingestion, skin and/or eye contact Symptoms: Irritation eyes, skin, respiratory system; confusion, dizziness, headache, drowsiness, nausea, vomiting, lassitude (weakness, exhaustion), convulsions Target Organs: Eyes, skin, respiratory system, central nervous system (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, wash the contaminated skin with soap and water. 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-undecanethiol

inhalation, skin absorption, ingestion, skin and/or eye contact

irritation eyes, skin, respiratory system; confusion, dizziness, headache, drowsiness, nausea, vomiting, lassitude (weakness, exhaustion), convulsions


Cough. Sore throat. Headache. Nausea.


Redness.


Redness.

Eyes, skin, respiratory system, central nervous system

Computed Properties

Molecular Weight:188.38
XLogP3:5.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:9
Exact Mass:188.15987194
Monoisotopic Mass:188.15987194
Topological Polar Surface Area:1
Heavy Atom Count:12
Complexity:71.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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