87769-39-9

• 常用中文名：2,2,5,6-四甲基-4H-1,3-二氧杂-4-己酮
• 常用英文名：2,2,5,6-Tetramethyl-4H-1,3-dioxin-4-one
• CAS号：87769-39-9
• 分子式：C₈H₁₂O₃
• 分子量：156.17900
• 发布时间：2018-12-24 19:20:22
• 更新时间：2024-01-08 17:55:20

名称

• 中文名: 2,2,5,6-四甲基-4H-1,3-二氧杂-4-酮
• 英文名: 2,2,5,6-tetramethyl-1,3-dioxin-4-one
• 中文别名: 2,2,5,6-四甲基-4H-1,3-二氧杂-4-己酮; 2,2,5,6-四甲基-4H-1,3-二噁英-4-酮
• 英文别名: 2,2,5,6-tetramethyl-2H,4H-1,3-dioxin-4-one; 2,2,5,6-Tetramethyl-4H-1,3-dioxin-4-one; 5,6-dimethyl dioxinone; MFCD00060139

物化性质

• 密度: 1.07 g/cm3
• 沸点: 72ºC 0,3mm
• 分子式: C₈H₁₂O₃
• 分子量: 156.17900
• 闪点: 92.7ºC
• 精确质量: 156.07900
• PSA: 35.53000
• LogP: 1.58980
• 外观性状: 液体;Colorless to Yellow to Green clear liquid
• 折射率: 1.438
• 储存条件: 0-10°C;存放于惰性气体之中;避免空气,加热
• 分子结构:

  1、 摩尔折射率：40.12

  2、 摩尔体积（m³/mol）：152.7

  3、 等张比容(90.2K)：343.0

  4、 表面张力(dyne/cm)：25.4

  5、 极化率(10-24cm³)：15.90

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.6

  2.氢键供体数量:0

  3.氢键受体数量:3

  4.可旋转化学键数量:0

  5.互变异构体数量:无

  6.拓扑分子极性表面积35.5

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:226

  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：未确定

  2. 密度（g/mL25 ºC）：1，07

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：65-69

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC0.3mmHg）：72

  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,）：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（正辛醇/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

2,2,5,6-Tetramethyl-4H-1,3-dioxin-4-one Revision number: 5 SAFETY DATA SHEET Section1. IDENTIFICATION Product name:2,2,5,6-Tetramethyl-4H-1,3-dioxin-4-one Revision number:5 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDS Category 4 Flammable liquids HEALTH HAZARDSNot classified Not classified ENVIRONMENTAL HAZARDS GHS label elements, including precautionary statements None Pictograms or hazard symbols Signal wordWarning Combustible liquid Hazard statements Precautionary statements: Keep away from flames and hot surfaces. [Prevention] Wear protective gloves and eye/face protection. Store in a well-ventilated place. Keep cool. [Storage] [Disposal]Dispose of contents/container through a waste management company authorized by the local government. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Components:2,2,5,6-Tetramethyl-4H-1,3-dioxin-4-one >95.0%(GC) Percent: CAS Number:87769-39-9 Chemical Formula:C8H12O3 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. Rinse cautiously with water for several minutes. Remove contact lenses, if present Eye contact: 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. Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air- tight goggles. 2,2,5,6-Tetramethyl-4H-1,3-dioxin-4-one Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, water spray, carbon dioxide. media: Unsuitable extinguishing Solid streams of water media: 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 Ensure adequate ventilation. Entry to non-involved personnel should be controlled emergency procedures: around the leakage area by roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust). containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected up: material should be promptly disposed of, in accordance with appropriate laws and regulations. Prevention of secondary Remove all sources of ignition. Fire-extinguishing devices should be prepared in hazards:case of a fire. Use spark-proof tools and explosion-proof equipment. Section7. HANDLING AND STORAGE Precautions for safe handling Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. Prevent generation of vapour or mist. Keep away from flames and hot surfaces. Take measures to prevent the build up of electrostatic charge. Use explosion-proof equipment. Wash hands and face thoroughly after handling. Use a closed system, ventilation. 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, dark and well-ventilated place. Store under inert gas. Store away from incompatible materials such as oxidizing agents. Air-sensitive Comply with laws. Packaging material: 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: Vapor respirator. Follow local and national regulations. Hand protection:Protective gloves. Safety glasses. A face-shield, if the situation requires. Eye protection: Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Liquid Clear Form: Colour:Very pale yellow - Yellow No data available Odour: pH: No data available Melting point/freezing point:No data available Boiling point/range:72°C/0.4kPa Flash point:No data available 2,2,5,6-Tetramethyl-4H-1,3-dioxin-4-one Section9. PHYSICAL AND CHEMICAL PROPERTIES Flammability or explosive limits: Lower:No data available Upper:No data available Relative density:1.07 Solubility(ies): [Water]No data available No data available [Other solvents] Section10. STABILITY AND REACTIVITY Chemical stability:Stable under proper conditions. Possibility of hazardous No special reactivity has been reported. reactions: Conditions to avoid:Open flame Incompatible materials: Oxidizing agents Hazardous decomposition Carbon monoxide, Carbon dioxide products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available No data available NTP = Reproductive toxicity:No data available 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): Mobility 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 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 and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. 2,2,5,6-Tetramethyl-4H-1,3-dioxin-4-one SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): 26-36/37/39
• 海关编码: 2932999099

合成路线

142779-83-7 333-27-7 ~60% 87769-39-9

文献：Yoshinari, Tomohiro; Ohmori, Ken; Suzuki, Keisuke Chemistry Letters, 2010 , vol. 39, # 10 p. 1042 - 1044

87769-51-5 ~31% 87769-39-9

文献：Sato, Masayuki; Ogasawara, Hiromichi; Oi, Keiichi; Kato, Tetsuzo Chemical & Pharmaceutical Bulletin, 1983 , vol. 31, # 6 p. 1896 - 1901

39149-65-0 67-64-1 ~71% 87769-39-9

文献：Sato, Masayuki; Ogasawara, Hiromichi; Oi, Keiichi; Kato, Tetsuzo Chemical & Pharmaceutical Bulletin, 1983 , vol. 31, # 6 p. 1896 - 1901

2382-59-4 67-64-1 ~65% 87769-39-9

文献：Sato, Masayuki; Ogasawara, Hiromichi; Oi, Keiichi; Kato, Tetsuzo Chemical & Pharmaceutical Bulletin, 1983 , vol. 31, # 6 p. 1896 - 1901

2382-59-4 108-22-5 ~55% 87769-39-9

文献：Sato, Masayuki; Ogasawara, Hiromichi; Oi, Keiichi; Kato, Tetsuzo Chemical & Pharmaceutical Bulletin, 1983 , vol. 31, # 6 p. 1896 - 1901

3709-18-0 ~% 87769-39-9

文献：Chemical & Pharmaceutical Bulletin, , vol. 31, # 6 p. 1896 - 1901

609-14-3 ~% 87769-39-9

文献：Chemical & Pharmaceutical Bulletin, , vol. 31, # 6 p. 1896 - 1901

上下游产品

上游产品  9
142779-83-7 333-27-7 87769-51-5 39149-65-0
67-64-1 2382-59-4 108-22-5 3709-18-0
609-14-3
下游产品  10
609-14-3 71645-33-5 86739-29-9 88939-02-0
90033-07-1 90062-19-4 90062-24-1 90062-27-4
90069-61-7 61736-31-0

海关

海关编码	2932999099
中文概述	2932999099. 其他仅含氧杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途
Summary	2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%