2,4,6-trimethylthiophenol
2,4,6-trimethylthiophenol structure
|
Common Name | 2,4,6-trimethylthiophenol | ||
|---|---|---|---|---|
| CAS Number | 1541-10-2 | Molecular Weight | 152.25700 | |
| Density | 1.009g/cm3 | Boiling Point | 231.8ºC at 760mmHg | |
| Molecular Formula | C9H12S | Melting Point | 142-143°C | |
| MSDS | N/A | Flash Point | 91.3ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2,4,6-trimethylbenzenethiol |
|---|---|
| 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 | 1.009g/cm3 |
|---|---|
| Boiling Point | 231.8ºC at 760mmHg |
| Melting Point | 142-143°C |
| Molecular Formula | C9H12S |
| Molecular Weight | 152.25700 |
| Flash Point | 91.3ºC |
| Exact Mass | 152.06600 |
| PSA | 38.80000 |
| LogP | 2.90050 |
| Vapour Pressure | 0.0928mmHg at 25°C |
| InChIKey | PKANQZUPJCMBAK-UHFFFAOYSA-N |
| SMILES | Cc1cc(C)c(S)c(C)c1 |
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: 20/21/22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. May cause respiratory tract irritation. 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: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. 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. 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 1541-10-2: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. 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: colorless Odor: stench pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C9H12S Molecular Weight: 152 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1541-10-2 unlisted. LD50/LC50: Not available. Carcinogenicity: 2,4,6-Trimethylbenzene-1-thiol - 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 Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2810 Packing Group: III IMO Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2810 Packing Group: III RID/ADR Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2810 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. Safety Phrases: S 36/37 Wear suitable protective clothing and gloves. WGK (Water Danger/Protection) CAS# 1541-10-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 1541-10-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1541-10-2 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~84%
2,4,6-trimethyl... CAS#:1541-10-2 |
| Literature: Societe Nationale Elf Aquitaine (Production) Patent: US5113019 A1, 1992 ; |
|
~86%
2,4,6-trimethyl... CAS#:1541-10-2 |
| Literature: Blower, Philip J.; Dilworth, Jonathan R.; Hutchinson, John P.; Zubieta, Jon A. Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999), 1985 , p. 1533 - 1542 |
|
~70%
2,4,6-trimethyl... CAS#:1541-10-2 |
| Literature: Becht, Jean-Michel; Wagner, Alain; Mioskowski, Charles Journal of Organic Chemistry, 2003 , vol. 68, # 14 p. 5758 - 5761 |
|
~%
2,4,6-trimethyl... CAS#:1541-10-2 |
| Literature: Phosphorus, Sulfur and Silicon and the Related Elements, , vol. 68, # 1-4 p. 261 - 292 |
|
~%
2,4,6-trimethyl... CAS#:1541-10-2 |
| Literature: Synlett, , # 17 art. no. G25605ST, p. 2691 - 2693 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 9 | |
CAS#:33667-80-0
CAS#:21213-30-9
CAS#:622-63-9
CAS#:1483-92-7
CAS#:29723-58-8
CAS#:70-55-3
CAS#:111997-38-7
CAS#:554-68-7
CAS#:1560-86-7This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2930909090 |
|---|---|
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
|
|
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
|
|
Name: A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Chain A, Poliovirus Polymerase With Gtp
External Id: HMS750
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-Sulphanylmesitylene |
| 2-Mercaptomesitylene |
| 2,4,6-Trimethylthiophenol |
| MFCD00218475 |
| 2,4,6-trimethylphenylthiol |
| 2-mesitylenethiol |
| 2,4,6-trimethylbenzene-1-thiol |
| 1,3,5-trimethylthiophenol |
| 2-mesitylmercaptan |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 2,4,6-trimethylbenzenethiol have? |
| A: English synonyms of 2,4,6-trimethylbenzenethiol: 2-Sulphanylmesitylene, 2-Mercaptomesitylene, 2,4,6-Trimethylthiophenol, MFCD00218475, 2,4,6-trimethylphenylthiol, 2-mesitylenethiol, 2,4,6-trimethylbenzene-1-thiol, 1,3,5-trimethylthiophenol, 2-mesitylmercaptan. |
| Q: What is the melting point of 2,4,6-trimethylbenzenethiol? |
| A: Melting point of 2,4,6-trimethylbenzenethiol is 142-143°C. |
| Q: What are the upstream materials of 2,4,6-trimethylbenzenethiol? |
| A: Related upstream materials(CAS) of 2,4,6-trimethylbenzenethiol: 105-67-9;773-64-8;571167-33-4;108-67-8;576-83-0. |
| Q: What is the LogP of 2,4,6-trimethylbenzenethiol? |
| A: LogP of 2,4,6-trimethylbenzenethiol is 2.90050. |
| Q: What is the molecular formula of 2,4,6-trimethylbenzenethiol? |
| A: Molecular formula of 2,4,6-trimethylbenzenethiol is C9H12S. |
| Q: What are the downstream products of 2,4,6-trimethylbenzenethiol? |
| A: Related downstream products(CAS) of 2,4,6-trimethylbenzenethiol: 33667-80-0;21213-30-9;622-63-9;1483-92-7;29723-58-8;70-55-3;111997-38-7;554-68-7;1560-86-7. |
| Q: What is the CAS number of 2,4,6-trimethylbenzenethiol? |
| A: CAS number of 2,4,6-trimethylbenzenethiol is 1541-10-2. |
| Q: What is the SMILES notation of 2,4,6-trimethylbenzenethiol? |
| A: SMILES notation of 2,4,6-trimethylbenzenethiol is Cc1cc(C)c(S)c(C)c1. |
| Q: What is the polar surface area (PSA) of 2,4,6-trimethylbenzenethiol? |
| A: Polar surface area (PSA) of 2,4,6-trimethylbenzenethiol is 38.80000. |
| Q: What is the safety information for 2,4,6-trimethylbenzenethiol? |
| A: Safety information for 2,4,6-trimethylbenzenethiol: S26-S36. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |