53957-33-8

• 常用中文名：2,5-二甲基苯甲醇
• 常用英文名：(2,5-Dimethylphenyl)methanol
• CAS号：53957-33-8
• 分子式：C₉H₁₂O
• 分子量：136.191
• 相关类别： 化学试剂 有机试剂 芳香醇
• 发布时间：2018-02-27 08:00:00
• 更新时间：2024-01-21 18:45:29

名称

• 中文名: 2,5-二甲基苯甲醇
• 英文名: (2,5-dimethylphenyl)methanol
• 中文别名: 2,5-二甲基苄醇
• 英文别名: 21-Oxy-1.2.4-trimethyl-benzol; Benzenemethanol, 2,5-dimethyl-; 2,5-DIMETHYLBENZYL ALCOHOL; MFCD00004625; 2,5-dimethyl-benzenemethanol; 2,5-Dimethyl-hydroxymethyl benzene; EINECS 258-888-2; Benzenemethanol,2,5-dimethyl; 2,5-Dimethyl-benzylalkohol; 2,4-DIMETHYLPHENYLMAGNESIUM BROMIDE; (2,5-Dimethylphenyl)methanol

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 233.0±0.0 °C at 760 mmHg
• 熔点: 40-42°C
• 分子式: C₉H₁₂O
• 分子量: 136.191
• 闪点: 107.2±0.0 °C
• 精确质量: 136.088821
• PSA: 20.23000
• LogP: 1.96
• 外观性状: 透明无色液体
• 蒸汽压: 0.0±0.4 mmHg at 25°C
• 折射率: 1.536
• 储存条件:

  密闭于阴凉干燥环境中

• 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：无可用

  2、 摩尔体积（cm³/mol）：无可用

  3、 等张比容（90.2K）：无可用

  4、 表面张力（dyne/cm）：无可用

  5、 极化率：无可用

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.8

  2.氢键供体数量:1

  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:无

  6.拓扑分子极性表面积20.2

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:101

  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℃）：1,011

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：40-42

  5. 沸点（ºC,常压）：232-234 /760 mmHg

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：1.535-1.537

  8. 闪点（ºC）：107

  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-Dimethylbenzyl alcohol 98% Material Safety Data Sheet Synonym: CAS: 53957-33-8 Section 1 - Chemical Product MSDS Name:2 5-Dimethylbenzyl alcohol 98% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 53957-33-8 2,5-Dimethylbenzyl alcohol 98 258-888-2 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 irritation of the digestive tract. 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 immediately. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: 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 immediately. 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. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 53957-33-8: 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: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: colorless Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 232.0 - 234.0 deg C @ 760.00m Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: 107 deg C ( 224.60 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C9H12O Molecular Weight: 136.19 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, strong oxidants. Incompatibilities with Other Materials: Acids, acid chlorides, acid anhydrides, strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 53957-33-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 2,5-Dimethylbenzyl alcohol - 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. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 53957-33-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 53957-33-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 53957-33-8 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: 2906299090

合成路线

610-72-0 ~% 53957-33-8

文献：Journal of the American Chemical Society, , vol. 113, # 25 p. 9630 - 9639

553-94-6 ~% 53957-33-8

文献：Journal of the American Chemical Society, , vol. 113, # 25 p. 9630 - 9639

824-45-3 ~% 53957-33-8

文献：Journal of Organic Chemistry, , vol. 22, p. 51,54

22184-23-2 ~% 53957-33-8

文献：Gazzetta Chimica Italiana, , vol. 32 II, p. 467

106-42-3 ~% 53957-33-8

文献：Gazzetta Chimica Italiana, , vol. 32 II, p. 467

5779-94-2 ~% 53957-33-8

文献：Gazzetta Chimica Italiana, , vol. 32 II, p. 467

857535-29-6 ~% 53957-33-8

文献：Chemische Berichte, , vol. 88, p. 301,307

5779-94-2 ~% 53957-33-8 610-72-0

文献：Gazzetta Chimica Italiana, , vol. 32 II, p. 467

海关

海关编码	2906299090
中文概述	2906299090 其他芳香醇. 增值税率:17.0% 退税率:9.0% 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
Summary	2906299090 other aromatic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%