7307-04-2

• 常用中文名：5,5-二甲己烷-2,4-二酮
• 常用英文名：5,5-dimethylhexane-2,4-dione
• CAS号：7307-04-2
• 分子式：C₈H₁₄O₂
• 分子量：142.19600
• 相关类别： 化学试剂 有机试剂 脂肪酮(含烯醇)
• 发布时间：2018-06-12 19:10:14
• 更新时间：2026-07-02 12:29:18
• 下载msds

名称

• 中文名: 5,5-二甲己烷2,4-二酮
• 英文名: 2,2-dimethyl-3,5-hexanedione
• 中文别名: 2,2-二甲-3,5-己二酮; 2,2-二甲基-3,5-己二酮; 5,5-二甲基己烷-2,4-二酮
• 英文别名: Pivalylacetone; 2,2-DIMETHYL-3,5-HEXANEDIONE,MIN; 2,2-Dimethyl-3,5-hexanedione; EINECS 230-760-0; 5,5-Dimethyl-hexan-2,4-dione; 5,5-DIMETHYLHEXANE-2,4-DIONE; 2,2-Dimethyl-3,5-hexanedione, min; 5,5-Dimethyl-2,4-hexanedione; MFCD00142767; 2,4-Hexanedione, 5,5-dimethyl; 2,2-Dimethylhexane-3,5-dione; Acetylpinacolin; Pivaloylacetone, keto form

物化性质

• 密度: 0.9412
• 沸点: 165ºC
• 分子式: C₈H₁₄O₂
• 分子量: 142.19600
• 闪点: 57ºC
• 精确质量: 142.09900
• PSA: 34.14000
• LogP: 1.58070
• 外观性状: 透明无色至淡黄色液体
• 折射率: 1.46
• 储存条件:

  密封储存于阴凉干燥环境。

• 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：39.13

  2、 摩尔体积（m³/mol）：154.8

  3、 等张比容（90.2K）：355.6

  4、 表面张力（dyne/cm）：27.8

  5、 极化率（10^-24cm³）：15.51

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：2.1

  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）：37.3

  6、 重原子数量：10

  7、 表面电荷：0

  8、 复杂度：161

  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：1

  14、 共价键单元数量：1

• 更多:

  1. 性状：无色液体

  2. 密度（g/mL,25/4℃）： 0.9412

  3. 相对蒸汽密度（g/mL,空气=1）： 无可用

  4. 熔点（ºC）：无可用

  5. 沸点（ºC,常压）：165

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率： 1.46

  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）：57

  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：难溶于水

MSDS

Section 1: Product Identification Chemical Name:2,2-Dimethyl-3,5-hexanedione, min. 97% CAS Registry Number:7307-04-2 Formula:(CH3)3CC(O)CH2C(O)CH3 EINECS Number:230-760-0 Chemical Family:organic compound Synonym:5,5-dimethylhexane-2,4-dione Section 2: Composition and Information on Ingredients IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title Compound7307-04-2100%no datano data Section 3: Hazards Identification Emergency Overview:Irritating to skin, eyes and mucous membranes. May be harmful if swallowed. Primary Routes of Exposure:Ingestion ,inhalation, skin, eyes Eye Contact:Irritating to eyes. May cause redness and pain. Skin Contact:Irritating to skin. May cause itching and redness. Inhalation:Irritating to the nose, mucous membranes and respiratory tract. Ingestion:No specific information is available on the physiological effects of ingestion. Acute Health Affects:Irritating to skin, eyes, and mucous membranes. Chronic Health Affects:No information available on long-term chronic effects. NTP:No IARC:No OSHA:No SECTION 4: First Aid Measures Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need Eye Exposure: assistance in keeping their eye lids open. Get immediate medical attention. Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if Skin Exposure: irritation persists. Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty Inhalation: in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance. Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce Ingestion: vomiting only if directed by medical personnel. SECTION 5: Fire Fighting Measures Flash Point:not applicable Autoignition Temperature:no data Explosion Limits:no data Extinguishing Medium:dry chemical, carbon dioxide, or foam. If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure Special Fire Fighting Procedures: self-contained breathing apparatus and full protective clothing. Hazardous Combustion andIf involved in a fire this material may release toxic and corrosive fumes. Decomposion Products: Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards. SECTION 6: Accidental Release Measures Small spills can be mixed with vermiculite, sodium carbonate or other suitable non combustible adsorbent and Spill and Leak Procedures: swept up. SECTION 7: Handling and Storage Handling and Storage:Store the material in a tightly sealed container in a cool, dry place. SECTION 8: Exposure Controls and Personal Protection Eye Protection:Always wear approved safety glasses when handling a chemical substance in the laboratory. Skin Protection:Wear appropriate chemical resistant gloves and clothing. Ventilation:If possible, handle the material in an efficient fume hood. If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator Respirator: Protection Program to be in compliance with 29 CFR 1910.134. Ventilation:If possible, handle the material in an efficient fume hood. Additional Protection:No additional protection required. SECTION 9: Physical and Chemical Properties Color and Form:colorless liquid Molecular Weight:142.2 Melting Point:no data Boiling Point:no data Vapor Pressure:no data Specific Gravity:no data Odor:not determined Solubility in Water:insoluble SECTION 10: Stability and Reactivity Stability:air and moisture stable Hazardous Polymerization:no hazardous polymerization Conditions to Avoid:none Incompatibility:oxidizing agents Decomposition Products:carbon monoxide, carbon dioxide and organic fumes. SECTION 11: Toxicological Information RTECS Data:No information available in the RTECS files. Carcinogenic Effects:no data Mutagenic Effects:no data Tetratogenic Effects:no data SECTION 12: Ecological Information Ecological Information:No information available SECTION 13: Disposal Considerations Disposal:Dispose of according to federal, state, and local regulations. SECTION 14: Transportation Shipping Name (CFR):Non-hazardous Hazard Class (CFR):NA Additional Hazard Class (CFR):NA Packaging Group (CFR):NA UN ID Number (CFR):NA Shipping Name (IATA):Non-hazardous Hazard Class (IATA):NA Additional Hazard Class (IATA):NA Packaging Group (IATA):NA UN ID Number (IATA):NA SECTION 15: Regulatory Information TSCA:Not listed in the TSCA inventory. SARA (Title 313):Title compound not listed. Second Ingredient:none 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

• 符号: GHS02, GHS07
• 信号词: Warning
• 危害声明: H226-H302-H319
• 警示性声明: P305 + P351 + P338
• 个人防护装备: Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
• 危害码 (欧洲): Xn
• 风险声明 (欧洲): 10-22
• 安全声明 (欧洲): S23-S24/25
• 危险品运输编码: UN 1224
• 包装等级: III

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