3637-01-2

• 常用中文名：3,4-二甲基苯乙酮
• 常用英文名：3,4-Dimethylacetophenone
• CAS号：3637-01-2
• 分子式：C₁₀H₁₂O
• 分子量：148.202
• 相关类别： 化学试剂 有机试剂 芳香酮
• 发布时间：2018-02-27 08:00:00
• 更新时间：2024-01-02 17:18:10
• 下载msds

名称

• 中文名: 3,4-二甲基苯乙酮
• 英文名: 3',4'-Dimethylacetophenone
• 中文别名: 1-(3,4-二甲基苯基)乙-1-酮; 3',4'-二甲基苯乙酮
• 英文别名: Ethanone, 1-(3,4-dimethylphenyl)-; MFCD00008743; EINECS 222-859-2; 3,4-Dimethylacetophenone; 1-(3,4-Dimethylphenyl)ethanone; 3′,4′-Dimethylacetophenone

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 246.5±0.0 °C at 760 mmHg
• 分子式: C₁₀H₁₂O
• 分子量: 148.202
• 闪点: 102.8±0.0 °C
• 精确质量: 148.088821
• PSA: 17.07000
• LogP: 2.59
• 外观性状: 红色棕色液体
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.510
• 储存条件:

  避光，通风干燥处，密封保存

• 稳定性:

  1. 常温常压下稳定，无色透明液体。

  2. 存在于烟气中。

• 分子结构:

  1、 摩尔折射率：45.93

  2、 摩尔体积（cm³/mol）：153.5

  3、 等张比容（90.2K）：367.7

  4、 表面张力（dyne/cm）：32.9

  5、 极化率（10^-24cm³）：18.20

• 计算化学:

  1、 疏水参数计算参考值（XlogP3）：2.9

  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：1

  5、 互变异构体数量：2

  6、 拓扑分子极性表面积（TPSA）：17.1

  7、 重原子数量：11

  8、 表面电荷：0

  9、 复杂度：151

  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：无色透明之浅黄色液体

  2. 密度d（g/mL,25/4℃）：1.009

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点（ºC）：-1.5

  5. 沸点（ºC,常压）：246.5

  6. 沸点bp（ºC,1mmHg）：不确定

  7. 折射率_(n¹⁵_D)：1.5413

  8. 闪点（ºC）：102

  9. 比旋光度（º）：不确定

  10. 自燃点或引燃温度（ºC）：不确定

  11. 蒸气压（kPa,25ºC）：不确定

  12. 饱和蒸气压（kPa,60ºC）：不确定

  13. 燃烧热（KJ/mol）：不确定

  14. 临界温度（ºC）：不确定

  15. 临界压力（KPa）：不确定

  16. 油水（辛醇/水）分配系数的对数值：不确定

  17. 爆炸上限（%,V/V）：不确定

  18. 爆炸下限（%,V/V）：不确定

  19. 溶解性：不溶于水，溶于乙醇、乙醚、苯、乙酸、四氯化碳。

MSDS

Name: 3 4 -Dimethylacetophenone 97% Material Safety Data Sheet Synonym: None CAS: 3637-01-2 Section 1 - Chemical Product MSDS Name:3 4 -Dimethylacetophenone 97% Material Safety Data Sheet Synonym:None Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 3637-01-2 3',4'-Dimethylacetophenone, 97% 97% 222-859-2 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. Skin: May cause skin irritation. 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. Chronic: No information found. 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: Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Ingestion: Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid. 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 if cough or other symptoms appear. 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. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Wash hands before eating. Use with adequate ventilation. Do not get on skin or in eyes. Avoid ingestion and inhalation. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 3637-01-2: 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: Liquid Color: clear, colorless Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 243 deg C @ 760.00mm Hg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: 102 deg C ( 215.60 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: 1.0010g/cm3 Molecular Formula: C10H12O Molecular Weight: 148.20 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents and strong bases. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 3637-01-2 unlisted. LD50/LC50: Not available. Carcinogenicity: 3',4'-Dimethylacetophenone, 97% - 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# 3637-01-2: No information available. Canada CAS# 3637-01-2 is listed on Canada's DSL List. CAS# 3637-01-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 3637-01-2 is listed on the TSCA inventory. 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

安全

• 个人防护装备: Eyeshields;Gloves
• 危害码 (欧洲): Xn:Harmful;
• 风险声明 (欧洲): R20/22;R36
• 安全声明 (欧洲): S39-S26
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• 海关编码: 2914399090

合成路线

上下游产品

上游产品  10
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下游产品  10
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海关

海关编码	2914399090
中文概述	2914399090. 其他不含其他含氧基的芳香酮. 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	2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%