98819-68-2

• 常用中文名：3-苯基缩水甘油
• 常用英文名：(2r,3r)-3-phenylglycidol
• CAS号：98819-68-2
• 分子式：C₉H₁₀O₂
• 分子量：150.17400
• 相关类别： 化学试剂 有机试剂 醚类
• 发布时间：2018-09-02 09:33:25
• 更新时间：2024-01-09 18:25:51

名称

• 中文名: 3-苯基缩水甘油
• 英文名: [(2R,3R)-3-phenyloxiran-2-yl]methanol
• 英文别名: (2R,3R)-3-Phenylglycidol; (+)-(2R,3S)-2,3-epoxycinnamyl alcohol; (+)-(2R,3R)-2,3-epoxycinnamyl alcohol; (2R,3R)-2,3-epoxy-3-phenyl-1-propanol; (+)-(2R,3R)-cinnamylalcohol 2,3-epoxide; (2R,3R)-trans-3-phenyloxirane-2-methanol; ((2R,3R)-3-phenyloxiran-2-yl)methanol; (+)-((2R,3R)-trans-3-phenyloxiran-2-yl)methanol; Oxiranemethanol,3-phenyl-,(2R-trans); 3-Phenyloxiranemethanol (2R-trans); MFCD00010838

物化性质

• 密度: 1.182g/cm3
• 沸点: 277.5ºC at 760mmHg
• 熔点: 49-53ºC
• 分子式: C₉H₁₀O₂
• 分子量: 150.17400
• 闪点: 129.5ºC
• 精确质量: 150.06800
• PSA: 32.76000
• LogP: 1.11880
• 外观性状: Crystalline Powder | Very slightly yellow
• 折射率: 1.567
• 储存条件:

  密闭于-20°C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：41.50

  2、 摩尔体积（m³/mol）：127.0

  3、 等张比容（90.2K）：339.1

  4、 表面张力（dyne/cm）：50.7

  5、 极化率（10^-24cm³）：16.45

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：0.8

  2、 氢键供体数量：1

  3、 氢键受体数量：2

  4、 可旋转化学键数量：2

  5、 拓扑分子极性表面积（TPSA）：32.8

  6、 重原子数量：11

  7、 表面电荷：0

  8、 复杂度：130

  9、 同位素原子数量：0

  10、 确定原子立构中心数量：2

  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：无可用

  2. 密度（g/mL,25/4℃）：无可用

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：49-53

  5. 沸点（ºC,常压）：无可用

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：无可用

  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

MSDS

Name: (2R 3R)-3-Phenyl Glycidol 96% (GC) Material Safety Data Sheet Synonym: None Known CAS: 98819-68-2 Section 1 - Chemical Product MSDS Name:(2R 3R)-3-Phenyl Glycidol 96% (GC) Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 98819-68-2 (2R,3R)-3-Phenyl Glycidol 96% unlisted Hazard Symbols: T C Risk Phrases: 21/22 34 45 46 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful in contact with skin and if swallowed. Causes burns. May cause cancer. May cause heritable genetic damage.Corrosive.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: Causes eye burns. May cause chemical conjunctivitis and corneal damage. Skin: Causes skin burns. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color. Ingestion: May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. May cause cardiac disturbances. The toxicological properties of this substance have not been fully investigated. May cause central nervous system effects. May cause systemic effects. Inhalation: Causes chemical burns to the respiratory tract. The toxicological properties of this substance have not been fully investigated. Aspiration may lead to pulmonary edema. May cause cardiac abnormalities. May cause systemic effects. Central nervous system effects, which appear to predominate in acute cases are characterized by abnormal fatigue, memory difficulties and dizziness. Chronic: Effects may be delayed. Section 4 - FIRST AID MEASURES Eyes: Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes). Skin: Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Containers may explode when heated. Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Extinguishing Media: Substance is noncombustible; use agent most appropriate to extinguish surrounding fire. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. Minimize dust generation and accumulation. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Discard contaminated shoes. Storage: Store in a cool, dry place. Keep container closed when not in use. Deep freeze (below -20C). 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# 98819-68-2: 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: 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: Powder Color: very slightly yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C9H10O2 Molecular Weight: 150.18 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 98819-68-2: RR0511120 LD50/LC50: Not available. Carcinogenicity: (2R,3R)-3-Phenyl Glycidol - 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: CORROSIVE SOLID, N.O.S.* Hazard Class: 8 UN Number: 1759 Packing Group: III IMO Shipping Name: CORROSIVE SOLID, N.O.S. Hazard Class: 8 UN Number: 1759 Packing Group: III RID/ADR Shipping Name: CORROSIVE SOLID, N.O.S. Hazard Class: 8 UN Number: 1759 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: T C Risk Phrases: R 45 May cause cancer. R 46 May cause heritable genetic damage. R 21/22 Harmful in contact with skin and if swallowed. R 34 Causes burns. Safety Phrases: S 53 Avoid exposure - obtain special instructions before use. S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 98819-68-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 98819-68-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 98819-68-2 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

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 RTECS NUMBER : RR0511120 CHEMICAL NAME : Oxiranemethanol, 3-phenyl-, (2R-trans)- CAS REGISTRY NUMBER : 98819-68-2 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C9-H10-O2 MOLECULAR WEIGHT : 150.19 HEALTH HAZARD DATA ACUTE TOXICITY DATA MUTATION DATA TYPE OF TEST : Sister chromatid exchange TEST SYSTEM : Rodent - hamster Lung DOSE/DURATION : 625 umol/L REFERENCE : MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 278,289,1992

安全

• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): R40
• 安全声明 (欧洲): S26;S45;S36/S37/S39
• 海关编码: 2910900090

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海关

海关编码	2910900090
中文概述	2910900090. 三节环环氧化物，环氧醇（酚，醚），包括其卤化，磺化，硝化或亚硝化的衍生物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2910900090. epoxides, epoxyalcohols, epoxyphenols and epoxyethers, with a three-membered ring, and their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%