7418-16-8

• 常用中文名：2,2-二(4-环己酮基)丙烷
• 常用英文名：4,4'-Propane-2,2-diyldicyclohexanone
• CAS号：7418-16-8
• 分子式：C₁₅H₂₄O₂
• 分子量：236.350
• 发布时间：2018-09-09 14:20:00
• 更新时间：2024-01-02 07:57:07

名称

• 中文名: 2,2-二(4-环己酮基)丙烷
• 英文名: 2,2-Bis(4-oxocyclohexyl)propane
• 中文别名: 4,4'-异亚丙基双(环己酮); 2,2-双(4-环己酮基)丙烷; 2,2-二(4-羰基环己)丙烷
• 英文别名: 4-[2-(4-oxocyclohexyl)propan-2-yl]cyclohexan-1-one; 4,4'-Propane-2,2-diyldicyclohexanone; 4,4'-(2,2-Propanediyl)dicyclohexanone; Cyclohexanone, 4,4'-(1-methylethylidene)bis-

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 358.3±15.0 °C at 760 mmHg
• 熔点: 164ºC
• 分子式: C₁₅H₂₄O₂
• 分子量: 236.350
• 闪点: 134.4±17.4 °C
• 精确质量: 236.177628
• PSA: 34.14000
• LogP: 1.92
• 外观性状: 白色粉末
• 蒸汽压: 0.0±0.8 mmHg at 25°C
• 折射率: 1.500
• 储存条件:

  密封于阴凉干燥环境。

• 稳定性:

  如果遵照规格使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：67.16

  2、 摩尔体积（m³/mol）：228.1

  3、 等张比容（90.2K）：574.3

  4、 表面张力（dyne/cm）：40.1

  5、 极化率（10 ^-24cm ³）：26.62

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.3

  2.氢键供体数量:0

  3.氢键受体数量:2

  4.可旋转化学键数量:2

  5.互变异构体数量:3

  6.拓扑分子极性表面积34.1

  7.重原子数量:17

  8.表面电荷:0

  9.复杂度:267

  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）：164

  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

2,2-Bis(4-oxocyclohexyl)propane Revision number: 1 SAFETY DATA SHEET Section1. BASE INFORMATION Product name:2,2-Bis(4-oxocyclohexyl)propane Revision number:1 Section2. HAZARDS IDENTIFICATION Classification of the GHS PHYSICAL HAZARDSNot classified HEALTH HAZARDSNot classified Not classified ENVIRONMENTAL HAZARDS GHS label elements None Pictograms or hazard symbols Signal wordNo signal word None Hazard statement Precautionary statementsNone Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Component(s):2,2-Bis(4-oxocyclohexyl)propane Percent:>95.0%(GC) CAS Number:7418-16-8 Synonyms:4,4'-Isopropylidenebis(cyclohexanone) Chemical Formula:C15H24O2 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 methods: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. 2,2-Bis(4-oxocyclohexyl)propane Section5. FIRE-FIGHTING MEASURES Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Personal precautions,Use personal protective equipment. Keep people away from and upwind of spill/leak. 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 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. Storage Storage conditions:Keep container tightly closed. Store in a cool and dark place. Store away from incompatible materials such as oxidizing agents. Packaging material:Law is followed. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust as possible so that workers should not be exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Dust respirator. Follow local and national regulations. Protective gloves. Hand protection: 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 White - Slightly pale yellow Color: Odor:No data available pH: No data available Melting point/freezing point:164 °C Boiling Point/Range:No data available Flash Point:No data available Explosive limits Lower:No data available No data available Upper: Density:No data available Soluble in : Chloroform Solubility: Section10. STABILITY AND REACTIVITY Stability:Stable under proper conditions. Reactivity:No special reactivity has been reported. Incompartible materials: oxidizing agents Hazardous Decomposition Carbon monoxide, Carbon dioxide Products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available 2,2-Bis(4-oxocyclohexyl)propane Section11. TOXICOLOGICAL INFORMATION Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: No data available IARC = NTP =No data available No data available Reproductive toxicity: Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available Crustacea:No data available Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobillity in soil log Pow:No data available Soil adsorption (Koc):No data available 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 UN-No:Not Listed Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. 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。

安全

• 海关编码: 2914299000

合成路线

80-05-7 ~% 7418-16-8

文献：Bulletin of the Chemical Society of Japan, , vol. 39, p. 2194 - 2201

13804-54-1 ~% 7418-16-8

文献：Justus Liebigs Annalen der Chemie, , vol. 472, p. 34

13804-54-1 64-19-7 ~% 7418-16-8

文献：Justus Liebigs Annalen der Chemie, , vol. 472, p. 34

上下游产品

上游产品  2
80-05-7 64-19-7
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7418-15-7

海关

海关编码	2914299000
中文概述	2914299000. 其他不含其他含氧基的环烷酮、环烯酮或环萜烯酮. 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, 丙酮报明包装
Summary	2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%