766-92-7

• 常用中文名：苄基甲基硫醚
• 常用英文名：2-Phenylethanethiol
• CAS号：766-92-7
• 分子式：C₈H₁₀S
• 分子量：138.230
• 相关类别： 香精与香料 合成香料 硫醚类香料
• 发布时间：2018-10-01 11:26:19
• 更新时间：2024-01-03 09:04:07

• 食品用香料

名称

• 中文名: 苄基甲基硫醚
• 英文名: benzyl methyl sulfide
• 英文别名: methylsulfanylmethylbenzene; EINECS 212-174-7; Benzyl Methyl Sulfide; [(Methylsulfanyl)methyl]benzene; Benzene, [(methylthio)methyl]-; 2-Phenylethanethiol; benzyl(methyl)sulfane; Sulfide, benzyl methyl (8CI); Benzeneethanethiol; MFCD00008563; α-(Methylthio)toluene

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 198.4±9.0 °C at 760 mmHg
• 熔点: -28 °C
• 分子式: C₈H₁₀S
• 分子量: 138.230
• 闪点: 73.3±0.0 °C
• 精确质量: 138.050323
• PSA: 25.30000
• LogP: 2.56
• 外观性状: 无色液体
• 蒸汽压: 0.5±0.4 mmHg at 25°C
• 折射率: 1.556
• 储存条件:

  远离点火源。存放于凉爽干燥的地方。存放于密闭容器中。

• 稳定性:

  常温常压下稳定，避免氧化物 强碱接触

• 水溶解性: 水溶性：不溶
• 分子结构:

  1、 摩尔折射率：43.79

  2、 摩尔体积（m³/mol）：136.2

  3、 等张比容（90.2K）：334.5

  4、 表面张力（dyne/cm）：36.3

  5、 介电常数：

  6、 偶极距（10 ^-24cm ³）：

  7、 极化率：17.36

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  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:无

  6.拓扑分子极性表面积25.3

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:65

  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℃）：1.015g/mL

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：-28 °C

  5. 沸点（ºC,常压）：195-198°C

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：n 20/D 1.562

  8. 闪点（º F）：164°F

  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：微溶于水，溶于油类。

MSDS

Name: Benzyl Methyl Sulfide 98% Material Safety Data Sheet Synonym: None Know CAS: 766-92-7 Section 1 - Chemical Product MSDS Name:Benzyl Methyl Sulfide 98% Material Safety Data Sheet Synonym:None Know Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 766-92-7 Benzyl Methyl Sulfide 98% 212-174-7 Hazard Symbols: None Listed. 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. 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. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Aspiration may lead to pulmonary edema. Inhalation at high concentrations may cause CNS depression and asphixiation. Chronic: Prolonged or repeated exposure may cause nausea, dizziness, and headache. 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. Ingestion: Do not induce vomiting. 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. 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. 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. Combustible liquid. Containers may explode when heated. Vapors from liquefied gas are initially heavier than air and spread along ground. Extinguishing Media: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. 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. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use only in a well-ventilated area. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. 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. 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# 766-92-7: 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: 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: Clear liquid Color: colorless - light yellow Odor: stench pH: Not available. Vapor Pressure: < 1 mm Hg @ 20 deg Viscosity: Not available. Boiling Point: 195 - 198 deg C @ 7 Freezing/Melting Point: Not available. Autoignition Temperature: Not applicable. Flash Point: 73 deg C ( 163.40 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: insoluble Specific Gravity/Density: 1.0150g/cm3 Molecular Formula: C8H10S Molecular Weight: 138.23 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, ignition sources, excess heat. Incompatibilities with Other Materials: Oxidizing agents, strong bases. Hazardous Decomposition Products: Carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, hydrogen sulfide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 766-92-7 unlisted. LD50/LC50: Not available. Carcinogenicity: Benzyl Methyl Sulfide - 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: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 766-92-7: No information available. Canada CAS# 766-92-7 is listed on Canada's DSL List. CAS# 766-92-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 766-92-7 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 对水是稍微有害的，不要让未稀释或大量的产品接触地下水，水道或者污水系统，若无政府许可，勿将材料排入周围环境

安全

• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): R20/22
• 安全声明 (欧洲): S24/25
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3

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