71242-58-5

• 常用中文名：(1S)-(-)-10-巯基异冰片
• 常用英文名：(1R,3S)-CYCLOPENT-4-ENE-1,3-DIOL
• CAS号：71242-58-5
• 分子式：C₁₀H₁₈OS
• 分子量：186.314
• 发布时间：2018-12-18 12:24:54
• 更新时间：2024-01-04 18:20:27

名称

• 中文名: (1S)-(-)-10-巯基异冰片
• 英文名: (1S)-(-)-10-Mercaptoisoborneol
• 英文别名: (1S,2R,4R)-7,7-Dimethyl-1-(sulfanylmethyl)bicyclo[2.2.1]heptan-2-ol; 7,7-dimethyl-4-(sulfanylmethyl)bicyclo[2.2.1]heptan-3-ol; Bicyclo[2.2.1]heptan-2-ol, 1-(mercaptomethyl)-7,7-dimethyl-, (1S,2R,4R)-; Bicyclo[2.2.1]heptan-2-ol, 1-(mercaptomethyl)-7,7-dimethyl-; 7,7-Dimethyl-1-(sulfanylmethyl)bicyclo[2.2.1]heptan-2-ol

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 270.4±13.0 °C at 760 mmHg
• 熔点: 72ºC
• 分子式: C₁₀H₁₈OS
• 分子量: 186.314
• 闪点: 117.3±19.8 °C
• 精确质量: 186.107834
• PSA: 59.03000
• LogP: 2.39
• 蒸汽压: 0.0±1.2 mmHg at 25°C
• 折射率: 1.543
• 储存条件:

  存放在密封容器内，并放在阴凉，干燥处。储存的地方必须远离氧化剂。远离热，火源，避光保存。

• 稳定性:

  正常条件下稳定，远离氧化物。

• 分子结构:

  1、 摩尔折射率：53.73

  2、 摩尔体积（m³/mol）：170.4

  3、 等张比容（90.2K）：438.0

  4、 表面张力（dyne/cm）：43.5

  5、 极化率（10 ^-24cm ³）：21.30

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：

  2、 氢键供体数量：

  3、 氢键受体数量：

  4、 可旋转化学键数量：

  5、 拓扑分子极性表面积（TPSA）：

  6、 重原子数量：

  7、 表面电荷：

  8、 复杂度：

  9、 同位素原子数量：0

  10、 确定原子立构中心数量：0

  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：白色晶状体固体。

  2. 密度（g/mL,25/4℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：72

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：未确定

  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：未确定 。

MSDS

(1S)-(-)-10-Mercaptoisoborneol Revision number: 5 SAFETY DATA SHEET Section1. IDENTIFICATION Product name:(1S)-(-)-10-Mercaptoisoborneol Revision number:5 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDSNot classified Not classified HEALTH HAZARDS ENVIRONMENTAL HAZARDSNot classified GHS label elements, including precautionary statements Pictograms or hazard symbolsNone No signal word Signal word Hazard statementsNone None Precautionary statements: Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Components:(1S)-(-)-10-Mercaptoisoborneol Percent:>98.0%(GC) CAS Number:71242-58-5 Chemical Formula:C10H18OS Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Get medical advice/attention if you feel unwell. Skin contact:Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower. If skin irritation or rash occurs: Get medical advice/attention. Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Ingestion:Get medical advice/attention if you feel unwell. Rinse mouth. A rescuer should wear personal protective equipment, such as rubber gloves and air- Protection of first-aiders: tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, water spray, carbon dioxide. media: Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to from the chemical:generate poisonous fume. (1S)-(-)-10-Mercaptoisoborneol Section5. FIRE-FIGHTING MEASURES Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Use personal protective equipment. Keep people away from and upwind of spill/leak. Personal precautions, protective equipment and Entry to non-involved personnel should be controlled around the leakage area by emergency procedures: roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it. containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with up: appropriate laws and regulations. Section7. HANDLING AND STORAGE Precautions for safe handling Handling is performed in a well ventilated place. Wear suitable protective equipment. Technical measures: Prevent dispersion of dust. Wash hands and face thoroughly after handling. Use a local exhaust if dust or aerosol will be generated. Advice on safe handling: Avoid contact with skin, eyes and clothing. Conditions for safe storage, including any incompatibilities Storage conditions:Keep container tightly closed. Store in a cool and dark place. Store away from incompatible materials such as oxidizing agents. Packaging material:Comply with laws. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Install a closed system or local exhaust as possible so that workers should not be Engineering controls: exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Dust respirator. Follow local and national regulations. Hand protection:Protective gloves. Eye protection:Safety glasses. A face-shield, if the situation requires. Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Solid Form:Crystal- Powder Colour:White - Almost white Odour:No data available pH: No data available Melting point/freezing point:72°C No data available Boiling point/range: Flash point:No data available Flammability or explosive limits: No data available Lower: Upper:No data available No data available Relative density: Solubility(ies): No data available [Water] [Other solvents]No data available (1S)-(-)-10-Mercaptoisoborneol Section10. STABILITY AND REACTIVITY Chemical stability:Stable under proper conditions. Possibility of hazardous No special reactivity has been reported. reactions: Incompatible materials: Oxidizing agents Hazardous decomposition Carbon monoxide, Carbon dioxide, Sulfur oxides products: Section11. TOXICOLOGICAL INFORMATION No data available Acute Toxicity: Skin corrosion/irritation: No data available No data available Serious eye damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available NTP =No data available No data available Reproductive toxicity: Section12. ECOLOGICAL INFORMATION Ecotoxicity: No data available Fish: Crustacea:No data available Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobility in soil Log Pow:No data available No data available Soil adsorption (Koc): Henry's LawNo data available constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION Hazards Class:Does not correspond to the classification standard of the United Nations Not listed UN-No: Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002 and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. (1S)-(-)-10-Mercaptoisoborneol SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

合成路线

21286-54-4 ~67% 71242-58-5 71242-59-6

文献：Journal of Organic Chemistry, , vol. 51, # 9 p. 1457 - 1466

129887-41-8 ~0% 95340-88-8 71242-58-5 116195-09-6

文献：Arai, Yoshitsugu; Hayashi, Kazuya; Matsui, Makoto; Koizumi, Toru; Shiro, Motoo; Kuriyama, Kaoru Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1991 , # 7 p. 1709 - 1716

129887-42-9 ~0% 71242-58-5 116195-09-6 115269-21-1

文献：Arai, Yoshitsugu; Matsui, Makoto; Koizumi, Toru Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1990 , # 4 p. 1233 - 1234

121611-73-2 ~% 71242-58-5

文献：Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , # 7 p. 1709 - 1716

3144-16-9 ~% 71242-58-5

文献：Journal of Chemical Research, Miniprint, , # 10 p. 1056 - 1069

121611-72-1 ~% 71242-58-5

文献：Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , # 4 p. 1233 - 1234

121701-13-1 ~% 71242-58-5

文献：Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , # 4 p. 1233 - 1234

4552-50-5 ~72% 71242-58-5 116195-09-6 71242-59-6

文献：Journal of Organic Chemistry, , vol. 56, # 15 p. 4760 - 4766

上下游产品

上游产品  8
21286-54-4 129887-41-8 129887-42-9 121611-73-2
3144-16-9 121611-72-1 121701-13-1 4552-50-5
下游产品  0