63697-00-7
63697-00-7结构式
- 常用中文名：(S)-(-)-乳酸异丙酯
- 常用英文名：(S)-Isopropyl lactate
- CAS号：63697-00-7
- 分子式：C6H12O3
- 分子量：132.158
- 发布时间：2018-02-13 08:00:00
- 更新时间：2024-01-03 14:53:18
| 中文名 | (S)-(-)-乳酸异丙酯 |
|---|---|
| 英文名 | Iso-Propyl L-lactate |
| 中文别名 | L-乳酸异丙脂 |
| 英文别名 |
(S)-Isopropyl lactate
isopropyl lactate Propanoic acid, 2-hydroxy-, 1-methylethyl ester l-isopropyllactate propan-2-yl 2-hydroxypropanoate EINECS 264-417-1 Isopropyl 2-hydroxypropanoate |
| 密度 | 1.0±0.1 g/cm3 |
|---|---|
| 沸点 | 165.6±8.0 °C at 760 mmHg |
| 熔点 | 1ºC |
| 分子式 | C6H12O3 |
| 分子量 | 132.158 |
| 闪点 | 57.2±0.0 °C |
| 精确质量 | 132.078644 |
| PSA | 46.53000 |
| LogP | 0.16 |
| 外观性状 | 透明无色液体 |
| 蒸汽压 | 0.6±0.7 mmHg at 25°C |
| 折射率 | 1.425 |
| 储存条件 | 密闭于阴凉干燥环境中 |
| 稳定性 | 遵照规定使用和储存则不会分解。 |
| 分子结构 | 1、 摩尔折射率：33.07 2、 摩尔体积（m3/mol）：129.3 3、 等张比容（90.2K）：307.0 4、 表面张力（dyne/cm）：31.8 5、 极化率（10-24cm3）：13.11 |
| 计算化学 | 1、 疏水参数计算参考值（XlogP）：0.7 2、 氢键供体数量：1 3、 氢键受体数量：3 4、 可旋转化学键数量：3 5、 拓扑分子极性表面积（TPSA）：46.5 6、 重原子数量：9 7、 表面电荷：0 8、 复杂度：98.5 9、 同位素原子数量：0 10、 确定原子立构中心数量：1 11、 不确定原子立构中心数量：0 12、 确定化学键立构中心数量：0 13、 不确定化学键立构中心数量：0 14、 共价键单元数量：1 |
| 更多 | 1. 性状：液体 2. 密度（g/mL,25/4℃）：0.988 3. 相对蒸汽密度（g/mL,空气=1）：无可用 4. 熔点（ºC）：1 5. 沸点（ºC,常压）：166-168 6. 沸点（ºC,5.2kPa）：无可用 7. 折射率：1.411 8. 闪点（ºC）：无可用 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: 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. 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 respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Vapors may cause dizziness or suffocation. Chronic: No information found. 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 immediately. 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: If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately. 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. 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. Flammable liquid and vapor. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated. 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. Use agent most appropriate to extinguish fire. 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. 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 only in a well-ventilated area. 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 heat, sparks, and flame. 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 ventilation to keep airborne concentrations low. Exposure Limits CAS# 63697-00-7: 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: colorless Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: mPas 20 deg C Boiling Point: 166 - 168 deg C @ 760.00mm Hg Freezing/Melting Point: 0.5 deg C Autoignition Temperature: > 380 deg C (> 716.00 deg F) Flash Point: 57 deg C ( 134.60 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: >157 deg C Solubility in water: miscible with most organic solvents Specific Gravity/Density: .9880g/cm3 Molecular Formula: C6H12O3 Molecular Weight: 132.16 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: Strong oxidizing agents, strong reducing agents, strong acids, strong bases. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 63697-00-7 unlisted. LD50/LC50: Not available. Carcinogenicity: Isopropyl(S)-(-)-lactate, 99% - 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: FLAMMABLE LIQUID, N.O.S.* Hazard Class: 3 UN Number: 1993 Packing Group: III IMO Shipping Name: FLAMMABLE LIQUID, N.O.S. Hazard Class: 3.3 UN Number: 1993 Packing Group: III RID/ADR Shipping Name: FLAMMABLE LIQUID, N.O.S. Hazard Class: 3 UN Number: 1993 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 9 Keep container in a well-ventilated place. S 16 Keep away from sources of ignition - No smoking. S 24/25 Avoid contact with skin and eyes. 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# 63697-00-7: No information available. Canada CAS# 63697-00-7 is listed on Canada's NDSL List. CAS# 63697-00-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 63697-00-7 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A |
|
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。
|
| 危害码 (欧洲) | Xi: Irritant; |
|---|---|
| 风险声明 (欧洲) | R66 |
| 安全声明 (欧洲) | 23-24/25 |
| 危险品运输编码 | UN 3272 3 |
| WGK德国 | 3 |
| 包装等级 | III |
| 危险类别 | 3.2 |
|
~%
63697-00-7 |
| 文献：Journal of Organic Chemistry, , vol. 53, # 6 p. 1231 - 1238 |
|
~20%
63697-00-7 |
| 文献：Phomphrai, Khamphee; Pracha, Supathana; Phonjanthuek, Phenphak; Pohmakotr, Manat Dalton Transactions, 2008 , # 23 p. 3048 - 3050 |
|
~60%
63697-00-7 |
| 文献：Rioz-Martinez, Ana; Cuetos, Anibal; Rodriguez, Cristina; De Gonzalo, Gonzalo; Lavandera, Ivan; Fraaije, Marco W.; Gotor, Vicente Angewandte Chemie - International Edition, 2011 , vol. 50, # 36 p. 8387 - 8390 |
| 上游产品 4 | |
|---|---|
| 下游产品 0 | |