53291-89-7

• 常用中文名：2,5-二甲基苯基丙酮
• 常用英文名：2,5-dimethylphenylacetone
• CAS号：53291-89-7
• 分子式：C₁₁H₁₄O
• 分子量：162.22800
• 相关类别： 香精与香料 合成香料 酮类香料 芳香族酮
• 发布时间：2018-08-17 09:15:28
• 更新时间：2024-01-09 19:43:41
• 下载msds

名称

• 中文名: 2,5-二甲基苯基丙酮
• 英文名: 1-(2,5-dimethylphenyl)propan-2-one
• 英文别名: MFCD00210423; Methyl-2.5-dimethylbenzyl-keton; 2,5-DIMETHYLPHENYLACETON; 1-(2,5-dimethylphenyl)acetone; 1-p-Xylol-2-propanon; 2,5-DIMETHYLPHENYLACETONE

物化性质

• 密度: 0.963g/cm3
• 沸点: 244.5ºC at 760mmHg
• 分子式: C₁₁H₁₄O
• 分子量: 162.22800
• 闪点: 104.7ºC
• 精确质量: 162.10400
• PSA: 17.07000
• LogP: 2.43490
• 折射率: 1.506
• 储存条件:

  密闭于4ºC阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：50.11

  2、 摩尔体积（m³/mol）：168.4

  3、 等张比容（90.2K）：404.0

  4、 表面张力（dyne/cm）：33.1

  5、 极化率（10 ^-24cm ³）：19.86

• 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:1

  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17.1

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:162

  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）：无可用

  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

Name: 2 5-Dimethylphenylacetone Material Safety Data Sheet Synonym: CAS: 53291-89-7 Section 1 - Chemical Product MSDS Name:2 5-Dimethylphenylacetone Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 53291-89-7 2,5-Dimethylphenylacetone unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. 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: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. Notes to Physician: Treat symptomatically and supportively. 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. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a tightly closed container. Store in a dry area. Keep refrigerated. (Store below 4C/39F.) Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 53291-89-7: Personal Protective Equipment Eyes: Not available. 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: Not available. Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C11H14O Molecular Weight: 162.23 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Not available. Incompatibilities with Other Materials: Not available. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 53291-89-7 unlisted. LD50/LC50: Not available. Carcinogenicity: 2,5-Dimethylphenylacetone - 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 No information available. IMO No information available. RID/ADR No information available. 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# 53291-89-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 53291-89-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 53291-89-7 is not listed on the TSCA inventory. It is for research and development use only. 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

• 安全声明 (欧洲): S24/25
• 海关编码: 2914399090

合成路线

94169-21-8 ~87% 53291-89-7

文献：Shatzmiller, Shimon; Lidor, Ramy; Shalom, Eytan; Bahar, Eliezer Journal of the Chemical Society, Chemical Communications, 1984 , # 12 p. 795 - 796

84784-30-5 ~82% 53291-89-7

文献：Tamura, Yasumitsu; Choi, Hong Dae; Mizutani, Masako; Ueda, Yuko; Ishibashi, Hiroyuki Chemical and Pharmaceutical Bulletin, 1982 , vol. 30, # 10 p. 3574 - 3579

2493-58-5 67-64-1 ~93% 53291-89-7

文献：Hesp, Kevin D.; Lundgren, Rylan J.; Stradiotto, Mark Journal of the American Chemical Society, 2011 , vol. 133, # 14 p. 5194 - 5197

26562-24-3 106-42-3 ~% 53291-89-7 52114-13-3 详细

文献：Hill,A.E.; Hoffmann,H.M.R. Journal of the American Chemical Society, 1974 , vol. 96, p. 4597 - 4603

106-42-3 ~% 53291-89-7

文献：Okabe, Kazuaki; Ohwada, Tomohiko; Ohta, Toshiharu; Shudo, Koichi Journal of Organic Chemistry, 1989 , vol. 54, # 4 p. 733 - 734

上下游产品

上游产品  4
2493-58-5 67-64-1 26562-24-3 106-42-3
下游产品  0

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%