Ethanethiol,2-(decylamino) structure
|
Common Name | Ethanethiol,2-(decylamino) | ||
|---|---|---|---|---|
| CAS Number | 5891-06-5 | Molecular Weight | 217.41400 | |
| Density | 0.871g/cm3 | Boiling Point | 290.6ºC at 760mmHg | |
| Molecular Formula | C12H27NS | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 129.6ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-(decylamino)ethanethiol |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 0.871g/cm3 |
|---|---|
| Boiling Point | 290.6ºC at 760mmHg |
| Molecular Formula | C12H27NS |
| Molecular Weight | 217.41400 |
| Flash Point | 129.6ºC |
| Exact Mass | 217.18600 |
| PSA | 50.83000 |
| LogP | 4.03740 |
| Index of Refraction | 1.466 |
| InChIKey | WOWHRXFAFVDNAP-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCNCCS |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.Stench. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause allergic respiratory reaction. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Remove contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. Get medical aid if cough or other symptoms appear. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Use agent most appropriate to extinguish fire. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Exposure Limits CAS# 5891-06-5: Personal Protective Equipment Eyes: Wear chemical splash goggles. Skin: Wear appropriate gloves to prevent skin exposure. Clothing: Wear a chemical apron. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: clear, colorless Odor: stench pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 124 - 128 deg C @ .40mm Hg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: > 110 deg C (> 230.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: .8690g/cm3 Molecular Formula: C12H27NS Molecular Weight: 217.41 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Not available. Incompatibilities with Other Materials: Acids, acid chlorides, acid anhydrides, oxidizing agents, chloroformates. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 5891-06-5 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-n-Decylaminoethanethiol, 95% - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 5891-06-5: No information available. Canada CAS# 5891-06-5 is listed on Canada's NDSL List. CAS# 5891-06-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 5891-06-5 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~47%
Ethanethiol,2-(... CAS#:5891-06-5 |
| Literature: Champseix, A.; Chanet, J.; Etienne, A.; Berre, A. Lemasson, J. C.; Napierala, C.; Vessiere, R. Bulletin de la Societe Chimique de France, 1985 , # 3 p. 463 - 472 |
|
~21%
Ethanethiol,2-(... CAS#:5891-06-5 |
| Literature: Champseix, A.; Chanet, J.; Etienne, A.; Berre, A. Lemasson, J. C.; Napierala, C.; Vessiere, R. Bulletin de la Societe Chimique de France, 1985 , # 3 p. 463 - 472 |
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~%
Ethanethiol,2-(... CAS#:5891-06-5 |
| Literature: Luhowy,R.; Meneghini,F. Journal of Organic Chemistry, 1973 , vol. 38, p. 2405 - 2407 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 0 | |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-N-decylamino ethanethiol |
| 2-Decylamino-aethanthiol |
| 2-Decylamino-ethylmercaptan |
| 2-decylamino ethanethiol |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 2-(decylamino)ethanethiol have? |
| A: English synonyms of 2-(decylamino)ethanethiol: 2-N-decylamino ethanethiol, 2-Decylamino-aethanthiol, 2-Decylamino-ethylmercaptan, 2-decylamino ethanethiol. |
| Q: What is the English name of 2-(decylamino)ethanethiol? |
| A: The English name of 2-(decylamino)ethanethiol is 2-(decylamino)ethanethiol. |
| Q: What is the CAS number of 2-(decylamino)ethanethiol? |
| A: CAS number of 2-(decylamino)ethanethiol is 5891-06-5. |
| Q: What are the upstream materials of 2-(decylamino)ethanethiol? |
| A: Related upstream materials(CAS) of 2-(decylamino)ethanethiol: 3326-89-4;2016-57-1;5628-96-6;420-12-2. |
| Q: What is the molecular weight of 2-(decylamino)ethanethiol? |
| A: Molecular weight of 2-(decylamino)ethanethiol is 217.41400. |
| Q: What is the SMILES notation of 2-(decylamino)ethanethiol? |
| A: SMILES notation of 2-(decylamino)ethanethiol is CCCCCCCCCCNCCS. |
| Q: What is the InChIKey of 2-(decylamino)ethanethiol? |
| A: InChIKey of 2-(decylamino)ethanethiol is WOWHRXFAFVDNAP-UHFFFAOYSA-N. |
| Q: What is the Chinese name of 5891-06-5? |
| A: Chinese name of 5891-06-5 is 5891-06-5. |
| Q: What is the LogP of 2-(decylamino)ethanethiol? |
| A: LogP of 2-(decylamino)ethanethiol is 4.03740. |
| Q: What is the polar surface area (PSA) of 2-(decylamino)ethanethiol? |
| A: Polar surface area (PSA) of 2-(decylamino)ethanethiol is 50.83000. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |