dodecane-1-thiol
1-Dodecanethiol
CAS: 112-55-0
Molecular Formula: C12H26S
dodecane-1-thiol - Names and Identifiers
| Name | 1-Dodecanethiol |
| Synonyms | 1-Dodecanethiol dodecane-1-thiol Lauryl mercaptan Dodecyl mercaptan 1-Dodecyl mercaptan n-Dodecyl mercaptan |
| CAS | 112-55-0 |
| EINECS | 203-984-1 |
| InChI | InChI=1/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3 |
| InChIKey | WNAHIZMDSQCWRP-UHFFFAOYSA-N |
dodecane-1-thiol - Physico-chemical Properties
| Molecular Formula | C12H26S |
| Molar Mass | 202.4 |
| Density | 0.841g/cm3 |
| Melting Point | -7℃ |
| Boling Point | 275.3°C at 760 mmHg |
| FEMA | 4581 | DODECANETHIOL |
| Flash Point | 87.8°C |
| JECFA Number | 1924 |
| Water Solubility | IMMISCIBLE |
| Vapor Presure | 0.00861mmHg at 25°C |
| Vapor Density | 7 (vs air) |
| Appearance | Liquid |
| Color | Clear |
| Exposure Limit | ACGIH: TWA 0.1 ppm NIOSH: Ceiling 0.5 ppm(4.1 mg/m3) |
| Maximum wavelength(λmax) | 205nm(lit.) |
| BRN | 969337 |
| pKa | 10.49±0.10(Predicted) |
| Storage Condition | Store below +30°C. |
| Sensitive | Air Sensitive |
| Refractive Index | 1.456 |
| Physical and Chemical Properties | Density 0.845 melting point -7°C boiling point 266-283°C refractive index 1.458-1.46 flash point 87°C water-soluble IMMISCIBLE |
| Use | As a relative molecular mass regulator of high molecular compounds |
dodecane-1-thiol - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection |
| UN IDs | UN 1208 3/PG 2 |
| WGK Germany | 3 |
| RTECS | JR3155000 |
| TSCA | Yes |
| Autoignition Temperature | 230 °C |
| HS Code | 29309070 |
| Hazard Class | 8 |
| Packing Group | III |
| Toxicity | LD50 orally in Rabbit: > 2000 mg/kg |
dodecane-1-thiol - Upstream Downstream Industry
dodecane-1-thiol - Nature
Open Data Verified Data
colorless or light yellow liquid. Soluble in methanol, ether, acetone, benzene, ethyl acetate, insoluble in water. It is flammable in case of open flame and high heat. It is decomposed by high heat to produce toxic sulfide smoke.
Last Update：2024-01-02 23:10:35
dodecane-1-thiol - Preparation Method
Open Data Verified Data
The bromododecane, thiourea and 95% ethanol were heated to reflux for reaction, and then sodium hydroxide solution was added and heated. After completion of the reaction, cooling and static stratification, the oil layer is the crude thiol. The crude product is washed with water, dried, distilled and distilled under reduced pressure, which is the finished product.
Last Update：2022-01-01 10:07:02
dodecane-1-thiol - Use
Open Data Verified Data
It is used as a relative molecular mass regulator in the polymerization of synthetic rubber, synthetic fiber and synthetic resin, and is also used as a stabilizer for polyvinyl chloride, a raw material for a bactericide, a detergent and the like.
Last Update：2022-01-01 10:07:02
dodecane-1-thiol - Safety
Open Data Verified Data
vapor or mist is irritating to the nose and throat. This product vapor or mist on the nose, throat irritation. Inhalation of high concentrations causes Head Pain, Nausea, Vomit, and even Coma. It is harmful to the environment, and attention should be paid to the pollution of water environment and aquifer. Store in a cool, ventilated warehouse. Keep away from fire and heat source. Protection from direct sunlight. Keep the container sealed. It should be stored separately from oxidant, acids and edible chemical raw materials.
Last Update：2022-01-01 10:07:02
dodecane-1-thiol - Additional information
Uses n-twelve mercaptan can be used as a relative molecular mass regulator for polymer compounds.
Preparation Bromododecane, thiourea and 95% ethanol are heated to reflux reaction, then sodium hydroxide solution is added and heated. After the reaction is completed, it is cooled and left to layer, and the oil layer is crude mercaptan. The crude product is washed, dried, distilled, and distilled under reduced pressure, which is n -12 mercaptan.
Safety Steam or fog is irritating to the nose and throat. The vapor or fog of this product is irritating to the nose and throat. High concentrations of inhalation cause headache, nausea, vomiting, and even coma. It is harmful to the environment, and attention should be paid to the pollution of the water environment and aquifer. Store in a cool, ventilated warehouse. Stay away from fire and heat sources. Prevent direct sunlight. Keep the container sealed. It should be stored separately from oxidants, acids and edible chemical raw materials.
Chemical properties colorless or light yellow liquid. Melting point -7 ℃, boiling point 165-169 ℃(5.19kPa),142-145 ℃(2kPa), relative density 0.8450(20/20 ℃), refractive index 1.4589, flash point 87 ℃. Soluble in methanol, ether, acetone, benzene, ethyl acetate, insoluble in water.
Uses Used as polymerization regulator for synthetic rubber, synthetic fiber, synthetic resin; also used in the production of polyvinyl chloride stabilizers, drugs, pesticides, fungicides, detergents, etc.
Used in rubber, plastic and pharmaceutical industries
Used as a polymerization regulator for synthetic rubber, synthetic fibers, and synthetic resins; also used in the production of polyvinyl chloride stabilizers, drugs, pesticides, fungicides, detergents, etc.; used as a relative molecular mass regulator for polymer compounds; Used in the rubber, plastic and pharmaceutical industries
The production method can be synthesized in the laboratory by the following method. A mixture of 125g bromododecane, 38g thiourea and 250ml 95% ethanol was heated and refluxed for 3h. After adding 30g of sodium hydroxide and 300ml of water, the mixture is refluxed for another 2 hours. The separated oil layer is crude mercaptan, which is extracted with benzene after acidification of the water layer. The extract is combined with crude mercaptan, washed with water, dried with anhydrous sodium sulfate, evaporated to remove benzene, distilled under reduced pressure, and the product is obtained by collecting 165-169 ℃(5.19kPa) fraction. About 80-84g, the yield is about 80%.
Category toxic substances
Flammability hazard characteristics Open flame is combustible; high thermal decomposition releases sulfur oxide gas
Storage and transportation characteristics The warehouse is ventilated and dry at low temperature; it is stored separately from oxidants, acids, and food additives
Fire extinguishing agent dry powder, foam, carbon dioxide, sand.
Last Update：2024-04-10 22:29:15
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View History
Raw Materials for dodecane-1-thiol
Downstream Products for dodecane-1-thiol
1-[2-amino-1-(4-hydroxyphenyl)ethyl]cyclohexanol
4-Cyano-4-(dodecylsulfanylthiocarbonyl)sulfanylpentanoic acid, min. 97%
1-Iodododecane
Dodecyl methyl sulfide
Dodecanamide
4-Cyano-4-(dodecylsulfanylthiocarbonyl)sulfanylpentanoic acid, min. 97%
1-Iodododecane
Dodecyl methyl sulfide
Dodecanamide