494-99-5

• 常用中文名：3,4-二甲氧基甲苯
• 常用英文名：1,2-Dimethoxy-4-methylbenzene
• CAS号：494-99-5
• 分子式：C₉H₁₂O₂
• 分子量：152.190
• 相关类别： 有机原料 烃类化合物及其衍生物 芳香烃
• 发布时间：2018-06-03 08:00:00
• 更新时间：2024-01-04 14:11:33
• 【用途一】
  用作有机合成中间体

名称

• 中文名: 3,4-二甲氧基甲苯
• 英文名: 3,4-Dimethoxytoluene
• 中文别名: 4-甲基藜芦醚; 1,2-二甲氧基-4-甲基苯
• 英文别名: 4-Methyl-1,2-dimethoxybenzene; 3,4-Dimethoxytoluene; MFCD00016651; Benzene, 1,2-dimethoxy-4-methyl-; Benzene,1,2-dimethoxy-4-methyl; 1,2-Dimethoxy-4-methylbenzene; homoveratrol; Homoveratrole; 4-Methylveratrol; 4-Methylveratrole; EINECS 207-796-0

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 220.0±0.0 °C at 760 mmHg
• 熔点: 22-23 °C(lit.)
• 分子式: C₉H₁₂O₂
• 分子量: 152.190
• 闪点: 72.6±21.3 °C
• 精确质量: 152.083725
• PSA: 18.46000
• LogP: 2.41
• 外观性状: 透明液体
• 蒸汽压: 0.2±0.4 mmHg at 25°C
• 折射率: 1.490
• 储存条件:

  密封保存，放置在通风，干燥的环境中

• 稳定性:

  按规格使用和贮存，不会发生分解，避免与氧化物接触

• 水溶解性: insoluble
• 分子结构:

  1、 摩尔折射率：44.43

  2、 摩尔体积（cm³/mol）：153.7

  3、 等张比容（90.2K）：358.2

  4、 表面张力（dyne/cm）：29.5

  5、 极化率（10^-24cm³）：17.61

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:2

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积18.5

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:114

  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/ m³,25/4℃）：1.0509

  3. 相对蒸汽密度（g/cm³,空气=1）：未确定

  4. 熔点（ºC）：24

  5. 沸点（ºC,常压）：220

  6. 常温折射率（n²⁵）：1.5258

  7. 折射率：1.528

  8. 闪点（ºF）：185

  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,25ºC）：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（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：难溶于水

MSDS

Name: 3 4-Dimethoxytoluene 98% Material Safety Data Sheet Synonym: 4-Methylveratrole CAS: 494-99-5 Section 1 - Chemical Product MSDS Name:3 4-Dimethoxytoluene 98% Material Safety Data Sheet Synonym:4-Methylveratrole Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 494-99-5 3,4-Dimethoxytoluene 98 207-796-0 Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: Immediately 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: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water. 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. Do NOT use mouth-to-mouth resuscitation. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Runoff from fire control or dilution water may cause pollution. Combustible liquid and vapor. Vapors are heavier than air and may travel to a source of ignition and flash back. Vapors can spread along the ground and collect in low or confined areas. 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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. 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. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Keep away from heat and flame. Avoid breathing vapor or mist. Storage: Keep away from sources of ignition. 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# 494-99-5: Personal Protective Equipment Eyes: Wear chemical splash goggles. 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: Solid or liquid Color: colorless Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 133 - 135 deg C @ 50 mmHg Freezing/Melting Point: 22 - 23 deg C Autoignition Temperature: Not available. Flash Point: 85 deg C ( 185.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Insoluble. Specific Gravity/Density: 1.0509 Molecular Formula: C9H12O2 Molecular Weight: 152.19 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not currently available. Conditions to Avoid: Ignition sources, excess heat. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 494-99-5 unlisted. LD50/LC50: Not available. Carcinogenicity: 3,4-Dimethoxytoluene - 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: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 494-99-5: No information available. Canada CAS# 494-99-5 is listed on Canada's DSL List. CAS# 494-99-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 494-99-5 is listed on the TSCA inventory. 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: GHS07
• 信号词: Warning
• 危害声明: H315-H319-H335
• 警示性声明: P261-P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xi:Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36-S37/39
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3

合成路线

上下游产品

上游产品  9
120-14-9 77-78-1 452-86-8 10548-82-0
93-03-8 21852-32-4 22002-45-5 121-33-5
53751-40-9
下游产品  10
51072-66-3 605-94-7 614-13-1 452-86-8
23145-70-2 18863-72-4 120-14-9 93-03-8
53751-40-9 33963-29-0