40696-22-8

• 常用中文名：2-甲氧基-1-萘甲醇
• 常用英文名：2-methoxy-1-naphthalenemethanol
• CAS号：40696-22-8
• 分子式：C₁₂H₁₂O₂
• 分子量：188.22200
• 相关类别： 化学试剂 有机试剂 多环化合物
• 发布时间：2018-08-24 20:03:44
• 更新时间：2024-01-09 13:33:49

名称

• 中文名: 2-甲氧基-1-萘甲醇
• 英文名: 2-methoxy-1-naphthalenemethanol
• 中文别名: 1-(羟甲基)-2-甲氧基萘
• 英文别名: (2-methoxynaphthalen-1-yl)methanol; 2-Methoxy-1-naphthalenemethanol; 1-(Hydroxymethyl)-2-methoxynaphthalene

物化性质

• 密度: 1.166g/cm3
• 沸点: 347.2ºC at 760mmHg
• 熔点: 100-104ºC
• 分子式: C₁₂H₁₂O₂
• 分子量: 188.22200
• 闪点: 163.1ºC
• 精确质量: 188.08400
• PSA: 29.46000
• LogP: 2.34070
• 外观性状: 白色 -浅黄红色晶体 -粉末
• 折射率: 1.627
• 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： 57.22

  2、 摩尔体积（m³/mol）：161.3

  3、 等张比容（90.2K）：421.3

  4、 表面张力（dyne/cm）：46.4

  5、 极化率（10 ^-24cm ³）：22.68

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.3

  2.氢键供体数量:1

  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29.5

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:181

  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）：100-104

  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-METHOXY-1-NAPHTHALENEMETHANOL Material Safety Data Sheet Synonym: CAS: 40696-22-8 Section 1 - Chemical Product MSDS Name:2-METHOXY-1-NAPHTHALENEMETHANOL Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 40696-22-8 2-METHOXY-1-NAPHTHALENEMETHANOL 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. 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: 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. 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. 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: Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. 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# 40696-22-8: 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: Solid Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 101 - 102 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: insoluble Specific Gravity/Density: Molecular Formula: Molecular Weight: 188.23 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. 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# 40696-22-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-METHOXY-1-NAPHTHALENEMETHANOL - 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# 40696-22-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 40696-22-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 40696-22-8 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: 该物质对环境可能有危害，对水体应给予特别注意。

安全

• 安全声明 (欧洲): S24/25
• 海关编码: 2909499000

合成路线

5392-12-1 ~95% 40696-22-8

文献：Zhang, Sheng; Wang, Yi; Feng, Xiujuan; Bao, Ming Journal of the American Chemical Society, 2012 , vol. 134, # 12 p. 5492 - 5495

93-04-9 ~% 40696-22-8

文献：Cook; Downer; Hornung Journal of the Chemical Society, 1941 , p. 502,506

136402-93-2 ~% 40696-22-8

文献：Jacobs; Heidelberger Journal of Biological Chemistry, 1915 , vol. 20, p. 674

67367-39-9 ~% 40696-22-8

文献：Cook; Downer; Hornung Journal of the Chemical Society, 1941 , p. 502,506

136402-93-2 64-19-7 ~% 40696-22-8

文献：Jacobs; Heidelberger Journal of Biological Chemistry, 1915 , vol. 20, p. 674

上下游产品

上游产品  5
5392-12-1 93-04-9 136402-93-2 67367-39-9
64-19-7
下游产品  1
67367-39-9

海关

海关编码	2909499000
中文概述	2909499000 其他醚醇及其卤化、磺化、硝化或亚硝化衍生物. 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	2909499000. ether-alcohols and their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%