32393-32-1

• 常用中文名：异硫氰酸DL-甲基苄酯
• 常用英文名：DL-alpha-Methylbenzyl isothiocyanate
• CAS号：32393-32-1
• 分子式：C₉H₉NS
• 分子量：163.23900
• 发布时间：2018-09-18 16:26:47
• 更新时间：2025-08-24 21:27:44
• DL-alpha-Methylbenzyl isothiocyanate is an antioxidant that induces phase II enzyme activity.

名称

• 中文名: 异硫氰酸DL-甲基苄酯
• 英文名: 1-phenylethyl isothiocyanate
• 中文别名: 1-苯基异硫氰酸乙酯
• 英文别名: MFCD00022061; dl-a-methylbenzyl isothiocyanate; dl-methylbenzylisothiocyanate

物化性质

• 密度: 1,06 g/cm3
• 沸点: 132-133 °C (20 mmHg)
• 分子式: C₉H₉NS
• 分子量: 163.23900
• 闪点: 103 °C
• 精确质量: 163.04600
• PSA: 44.45000
• LogP: 2.85040
• 储存条件:

  保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

• 稳定性:

  常温常压下稳定

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：3.5

  2、 氢键供体数量：0

  3、 氢键受体数量：1

  4、 可旋转化学键数量：2

  5、 互变异构体数量：

  6、 拓扑分子极性表面积（TPSA）：12.4

  7、 重原子数量：11

  8、 表面电荷：0

  9、 复杂度：155

  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：黄色液体

  2. 密度（g/mL,20℃）：1.06

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,2.7KPa）：132-133

  7. 折射率：未确定

  8. 闪点（ºC）：103

  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（Pa,20ºC）：未确定

  12. 饱和蒸气压（KPa,25ºC）：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：未确定

MSDS

Name: DL-alpha-Methylbenzylisothiocyanate 98% Material Safety Data Sheet Synonym: CAS: 32393-32-1 Section 1 - Chemical Product MSDS Name:DL-alpha-Methylbenzylisothiocyanate 98% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 32393-32-1 DL-alpha-Methylbenzylisothiocyanate 98% unlisted Hazard Symbols: XI Risk Phrases: 36/37 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes and respiratory system. Potential Health Effects Eye: Causes 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: Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. 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# 32393-32-1: 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: light yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 133 deg C @ 20.00mm Hg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: 103 deg C ( 217.40 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: Molecular Weight: 163.20 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, strong bases. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide, hydrogen bromide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 32393-32-1 unlisted. LD50/LC50: Not available. Carcinogenicity: DL-alpha-Methylbenzylisothiocyanate - 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 No information available. IMO No information available. RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37 Irritating to eyes and respiratory system. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 39 Wear eye/face protection. WGK (Water Danger/Protection) CAS# 32393-32-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 32393-32-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 32393-32-1 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: 通常对水是稍微有危害的，若无政府许可，勿将材料排入周围环境。

安全

• 危害码 (欧洲): C: Corrosive;
• 风险声明 (欧洲): R34
• 安全声明 (欧洲): S45-S36/37/39-S26
• 危险品运输编码: 2810