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| 中文名 | 5-叔丁基-2-甲基苯硫酚 |
|---|---|
| 英文名 | 4-Tert-Butyl-2-Mercaptotoluene |
| 中文别名 |
5-叔丁基邻硫代甲酚
5-叔丁基-2-甲基硫代苯酚 2-甲基-5-叔丁基噻吩 4-叔丁基-2-巯基甲苯 |
| 英文别名 |
MFCD00142942
5-tert-butyl-2-methylbenzenethiol |
| 密度 | 0.984 |
|---|---|
| 沸点 | 260ºC |
| 熔点 | -10ºC |
| 分子式 | C11H16S |
| 分子量 | 180.31000 |
| 闪点 | 116ºC |
| 精确质量 | 180.09700 |
| PSA | 38.80000 |
| LogP | 3.58120 |
| 外观性状 | Liquid | Clear colorless |
| 折射率 | 1.5470 |
| 储存条件 | 密封储存于阴凉干燥环境。 |
| 稳定性 | 如果遵照规格使用和储存则不会分解。 |
| 分子结构 | 1、 摩尔折射率：57.64 2、 摩尔体积（m3/mol）：185.0 3、 等张比容（90.2K）：441.4 4、 表面张力（dyne/cm）：32.4 5、 极化率（10 -24cm 3）：22.85 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:4.1 2.氢键供体数量:1 3.氢键受体数量:1 4.可旋转化学键数量:1 5.互变异构体数量:3 6.拓扑分子极性表面积1 7.重原子数量:12 8.表面电荷:0 9.复杂度:146 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
| 更多 | 1. 性状：无色液体 2. 密度（g/mL,25/4℃）： 0.98 3. 相对蒸汽密度（g/mL,空气=1）：无可用 4. 熔点（ºC）：-10 5. 沸点（ºC,常压）：260 6. 沸点（ºC,5.2kPa）：无可用 7. 折射率： 无可用 8. 闪点（ºC）： 116 9. 比旋光度（º）：无可用 10. 自燃点或引燃温度（ºC）：无可用 11. 蒸气压（kPa,25ºC）：无可用 12. 饱和蒸气压（kPa,60ºC）：无可用 13. 燃烧热（KJ/mol）：无可用 14. 临界温度（ºC）：无可用 15. 临界压力（KPa）：无可用 16. 油水（辛醇/水）分配系数的对数值：无可用 17. 爆炸上限（%,V/V）：无可用 18. 爆炸下限（%,V/V）：无可用 19. 溶解性：无可用 |
Synonym:5-(1,1-Dimethylethyl)-2-methylthiophenol; 2-Methyl-5-(1,1-dimethylethyl)thiopheno Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 36/38 51 53 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Irritating to eyes and skin. Toxic to aquatic organisms. May cause long-term adverse effects in the aquatic environment. Potential Health Effects Eye: Causes eye irritation. May cause chemical conjunctivitis. Skin: Causes skin irritation. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Inhalation: Causes respiratory tract irritation. Can produce delayed pulmonary edema. Chronic: Effects may be delayed. Section 4 - FIRST AID MEASURES Eyes: Immediately 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. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. Do NOT use mouth-to-mouth resuscitation. Notes to Physician: Treat symptomatically and supportively. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: Water may be ineffective. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Avoid runoff into storm sewers and ditches which lead to waterways. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Use with adequate ventilation. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. 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. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 7340-90-1: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: clear, colorless Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 260 deg C @ 760.00mm Hg Freezing/Melting Point: -10 deg C Autoignition Temperature: Not applicable. Flash Point: 123 deg C ( 253.40 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Not available. Solubility in water: Not available. Specific Gravity/Density: .9800g/cm3 Molecular Formula: C11H16S Molecular Weight: 180.31 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, excess heat, strong oxidants. Incompatibilities with Other Materials: No information found.. Hazardous Decomposition Products: Carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 7340-90-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-Methyl-5-tert-butylthiophenol - 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: XI Risk Phrases: R 36/38 Irritating to eyes and skin. R 51 Toxic to aquatic organisms. R 53 May cause long-term adverse effects in the aquatic environment. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 28A After contact with skin, wash immediately with plenty of water. S 37/39 Wear suitable gloves and eye/face protection. S 56 Do not discharge into drains or the environment, dispose to an authorised waste collection point. WGK (Water Danger/Protection) CAS# 7340-90-1: 2 Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 7340-90-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 7340-90-1 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
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生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。
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| 危害码 (欧洲) | Xi |
|---|---|
| 风险声明 (欧洲) | 36/38-51/53 |
| 安全声明 (欧洲) | 26-37/39-61 |
| 危险品运输编码 | UN 3082 |
| 包装等级 | III |
| 危险类别 | 9.0 |
| 海关编码 | 2930909090 |
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7340-90-1 |
| 文献：Journal of Organic Chemistry, , vol. 66, # 13 p. 4504 - 4510 |
| 上游产品 1 | |
|---|---|
| 下游产品 0 | |
| 海关编码 | 2930909090 |
|---|---|
| 中文概述 | 2930909090. 其他有机硫化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0% |
| 申报要素 | 品名, 成分含量, 用途 |
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
