1-Hexanethiol
hexane-1-thiol
CAS: 111-31-9
Molecular Formula: C6H14S
1-Hexanethiol - Names and Identifiers
1-Hexanethiol - Physico-chemical Properties
| Molecular Formula | C6H14S |
| Molar Mass | 118.24 |
| Density | 0.832 g/mL at 25 °C |
| Melting Point | -81--80 °C (lit.) |
| Boling Point | 150-154 °C (lit.) |
| Flash Point | 69°F |
| JECFA Number | 518 |
| Water Solubility | insoluble |
| Vapor Presure | 4.5mmHg at 25°C |
| Appearance | Liquid |
| Specific Gravity | 0.842 (20/4℃) |
| Color | Clear colorless to yellow |
| Exposure Limit | NIOSH: Ceiling 0.5 ppm(2.7 mg/m3) |
| BRN | 1731295 |
| pKa | 10.55±0.10(Predicted) |
| Storage Condition | Flammables area |
| Sensitive | Air Sensitive |
| Refractive Index | n20/D 1.4482(lit.) |
| Physical and Chemical Properties | Colorless liquid. Soil-like odor. Boiling point 150~154 deg C. Soluble in oil and alcohol. |
1-Hexanethiol - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R10 - Flammable R20/22 - Harmful by inhalation and if swallowed. |
| Safety Description | S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. S16 - Keep away from sources of ignition. |
| UN IDs | UN 1228 3/PG 2 |
| WGK Germany | 3 |
| RTECS | MO4550000 |
| FLUKA BRAND F CODES | 13 |
| TSCA | Yes |
| HS Code | 29309090 |
| Hazard Class | 3 |
| Packing Group | III |
1-Hexanethiol - Reference Information
| FEMA | 3842 | 1-HEXANETHIOL |
| olfactory Threshold | 0.000015ppm |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Overview | higher mercaptans such as hexylmercaptan are intermediates for pesticides, pharmaceuticals, fragrances, surfactants, rubber vulcanizing agents, accelerators, it can be used for the production of alkyl sulfonamides and the like. At present, the addition reaction under high temperature and high pressure is mainly used in industry. The disadvantage of this method is that the reaction is reacted under high temperature and high pressure, and the energy consumption is large, and the yield of the method is low, and the cost of the product is relatively high. |
| Application | hexanethiol is used for equal strength diffusion bonding of an aluminum alloy, it is used to solve the technical problem of poor mechanical properties of aluminum alloy connection joints in the existing diffusion bonding method. The technical scheme is to passivate the surface of the aluminum alloy to be welded after removing the oxide film by using hexyl mercaptan organic liquid film, and form a monolayer of self-assembled molecular film on the surface of the aluminum alloy to be welded through the combination of Al-S bonds, to prevent the aluminum alloy to be welded parts in the furnace and vacuum in the process of secondary oxidation, when the temperature in the furnace is raised to 154 ° C., hexanethiol escapes from the surface of the aluminum alloy to be welded and volatilizes so that the Al atoms on the surface of the aluminum alloy to be welded come into contact with each other, so that the effective connection of the aluminum alloy is realized when the diffusion welding temperature is reached. |
| preparation | a method for the synthesis of higher thiols, using liquid olefins and hydrogen sulfide as raw materials, the specific steps include:(1) 1-hexene was added to the evaporator, and the steam flow was adjusted and passed to a static mixer at a temperature of 160 ° C. To thoroughly mix with hydrogen sulfide in a molar ratio of 1:2, the mixed gas enters the plasma reaction chamber filled with the catalyst of transition metal oxide supported on molecular sieve at a flow rate of 80 min-1, the reaction temperature is 160 ℃, the reaction pressure is 0MPa, and the microwave plasma is used as the plasma power supply, turn on the plasma power to carry out the reaction;(2) enter the liquid generated after the reaction in step (1) into the crude product storage tank, and the unreacted gas is recycled through recovery and compression;(3) the crude product obtained in step (2) was distilled, and the fraction at a temperature of 150 ° -154 ° C. Was collected to obtain the target product 1-hexanethiol with a purity of 97% and a yield of 92.07%, calculated as 1-hexene. |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): baked goods, non-alcoholic beverages, breakfast cereals, cold drinks, sauces, meat products, dairy products, soft candy, soup, sweet sauce, 0.1~5.0; Flavoring spices 0.5~5.0. |
| Use | food flavor. It is used to adjust the electrical characteristics of the network carbon nanotube field effect transistor. It is also used as a monolayer on the surface of copper to delay the exposure of copper to the environment? Surface oxidation, followed by efficient Desorption by an annealing step in inert N2, provides a clean copper surface. |
| category | toxic substances |
| toxicity grade | high toxicity |
| Acute toxicity | oral-rat LD50: 1254 mg/kg; Intraperitoneal-mouse LD50: 200 mg/kg |
| flammability hazard characteristics | combustible flame; Toxic sulfur oxide gas |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; Separate from food, acids and oxidants |
| fire extinguishing agent | foam, dry powder, carbon dioxide |
| Occupational Standard | AIR CL 0.5 PPM/15 M |
Last Update：2024-04-10 22:29:15
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