464-07-3
464-07-3结构式
- 常用中文名：3,3-二甲基-2-丁醇
- 常用英文名：3,3-dimethyl-2-butanol
- CAS号：464-07-3
- 分子式：C6H14O
- 分子量：102.17500
- 发布时间：2018-10-02 11:53:43
- 更新时间：2024-01-04 23:20:38
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溶剂、萃取剂、有机合成中间体。
| 中文名 | 3,3-二甲基-2-丁醇 |
|---|---|
| 英文名 | 3,3-dimethyl-2-butanol |
| 中文别名 |
频哪醇酮醇
2,2-二甲基-3-丁醇 3,3-二甲-2-丁醇 3-羟基-2,2-二甲基丁烷 甲基三級丁基甲醇 |
| 英文别名 |
methyl-t-butyl carbinol
3,3-Dimethyl-2-butanol 3,3-dimethyl-2-butano Pinakolylalkohol PINACOLYL ALCOHOL 3,3-Dymethyl-2butanol 2,2-dimethyl-3-butanol 1-tert-Butylethanol EINECS 207-347-9 Pinacoline alcohol Dymethylbutanol 3,3-dimethyl-2-butan-1-ol MFCD00004522 PINACOLYILALCOHOL |
| 密度 | 0.812 g/mL at 25 °C(lit.) |
|---|---|
| 沸点 | 119-121 °C(lit.) |
| 熔点 | 4.8 °C(lit.) |
| 分子式 | C6H14O |
| 分子量 | 102.17500 |
| 闪点 | 84 °F |
| 精确质量 | 102.10400 |
| PSA | 20.23000 |
| LogP | 1.41330 |
| 蒸汽压 | 8.47mmHg at 25°C |
| 折射率 | n20/D 1.415(lit.) |
| 储存条件 | 应远离火源密封保存，放置于通风、干燥地方，避免于其他氧化物接触。 |
| 稳定性 | 按规格使用和贮存，不会发生分解，避免与氧化物接触。易燃液体。使用时应避免吸入蒸气，避免与眼睛、皮肤接触。 |
| 分子结构 | 1、 摩尔折射率：31.30 2、 摩尔体积（cm3/mol）：125.5 3、 等张比容（90.2K）：280.0 4、 表面张力（dyne/cm）：24.7 5、 极化率（10-24cm3）：12.41 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:无 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:无 6.拓扑分子极性表面积20.2 7.重原子数量:7 8.表面电荷:0 9.复杂度:51.7 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:1 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. 相对密度（g/mL,20/4ºC）：0.8139 3. 相对密度（25℃，4℃）：0.81879 4. 熔点（ºC）：5.3 5. 沸点（ºC,101.3kPa）：120 6. 常温折射率（n25）：1.4132 7. 折射率（n20ºC）：1.4151 8. 闪点（ºC）：28 9. 比旋光度（º）：未确定 10. 自燃点或引燃温度（ºC）：未确定 11. 蒸气压（kPa,25ºC）：未确定 12. 饱和蒸气压（kPa,60ºC）：未确定 13. 燃烧热（KJ/mol）：未确定 14. 临界温度（ºC）：未确定 15. 临界压力（KPa）：未确定 16. 油水（辛醇/水）分配系数的对数值：未确定 17. 爆炸上限（%,V/V）：未确定 18. 爆炸下限（%,V/V）：未确定 19. 溶解性：能与乙醇、乙醚和苯等相混溶，微溶于水。 |
Synonym: Tert-Butyl Methyl Carbinol; Pinacolyl Alcohol. SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 10 SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Flammable. Potential Health Effects Eye: May cause eye irritation. May cause chemical conjunctivitis and corneal damage. Skin: May cause irritation and dermatitis. May cause cyanosis of the extremities.
Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated. Ingestion of large amounts may cause CNS depression. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Aspiration may lead to pulmonary edema. Vapors may cause dizziness or suffocation. May cause burning sensation in the chest. Chronic: Effects may be delayed. 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. 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: 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. Vapors may form an explosive mixture with air. Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire. Use water spray to keep fire-exposed containers cool. Water may be ineffective. Material is lighter than water and a fire may be spread by the use of water. Containers may explode in the heat of a fire. Flammable liquid and vapor. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Extinguishing Media: For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. For large fires, use water spray, fog, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Water may be ineffective. Do NOT use straight streams of water. 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. A vapor suppressing foam may be used to reduce vapors. SECTION 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Storage: Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area. 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 general or local explosion-proof ventilation to keep airborne levels to acceptable levels. Exposure Limits CAS# 464-07-3: 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: alcohol-like pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 119.0 - 121.0 deg C Freezing/Melting Point: 4.8 deg C Autoignition Temperature: Not available. Flash Point: 28 deg C ( 82.40 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: .8120g/cm3 Molecular Formula: C6H14O Molecular Weight: 102.18 SECTION 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, ignition sources, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported. SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 464-07-3: EL2276000 LD50/LC50: CAS# 464-07-3: Inhalation, rat: LC50 = 15000 mg/m3; Skin, rat: LD50 = 3100 mg/kg. Carcinogenicity: 3,3-Dimethyl-2-Butanol - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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: ALCOHOLS, N.O.S. Hazard Class: 3 UN Number: 1987 Packing Group: III IMO Shipping Name: ALCOHOLS, N.O.S. Hazard Class: 3.3 UN Number: 1987 Packing Group: III RID/ADR Shipping Name: ALCOHOLS, FLAMMABLE, N.O.S. Hazard Class: 3 UN Number: 1987 Packing group: III SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: R 10 Flammable. Safety Phrases: S 9 Keep container in a well-ventilated place. S 16 Keep away from sources of ignition - No smoking. S 28A After contact with skin, wash immediately with plenty of water. S 33 Take precautionary measures against static discharges. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 464-07-3: No information available. Canada CAS# 464-07-3 is listed on Canada's NDSL List. CAS# 464-07-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 464-07-3 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION MSDS Creation Date: 9/02/1997 Revision #5 Date: 3/18/2003 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages. SECTION 16 - ADDITIONAL INFORMATION N/A |
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毒理学数据: 急性毒性：大鼠吸入LCLo：3600 ppm/2.3H，共济失调； 大鼠吸入TCLo：4930 mg/m3/6H/13W-I，肾，输尿管，膀胱-改变（包括急性肾功能衰竭，急性肾小管坏死），血-血清成分的变化（如茶多酚，胆红素，胆固醇），关于慢性数据-卵巢重量变化； 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。 CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
|
| 符号 |
GHS02 |
|---|---|
| 信号词 | Warning |
| 危害声明 | H226 |
| 个人防护装备 | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| 风险声明 (欧洲) | R10 |
| 安全声明 (欧洲) | S16 |
| 危险品运输编码 | UN 1987 3/PG 3 |
| WGK德国 | 3 |
| RTECS号 | EL2276000 |
| 包装等级 | III |
| 危险类别 | 3 |
