3857-25-8

• 常用中文名：5-甲基-2-呋喃甲醇
• 常用英文名：5-Methyl-2-furanmethanol
• CAS号：3857-25-8
• 分子式：C₆H₈O₂
• 分子量：112.127
• 相关类别： 研究领域 其他
• 发布时间：2018-06-22 12:55:06
• 更新时间：2024-01-04 10:25:44
• 5-甲基-2-呋喃甲醇是一种天然产物,可从D。鲁皮科拉海滩酒店。。5-甲基-2-呋喃甲醇也是细胞色素P450(CYP)[1][2]氧化2,5-二甲基呋喃(DMF)的产物。

名称

• 中文名: 5-甲基-2-呋喃甲醇
• 英文名: (5-Methylfuran-2-yl)methanol
• 中文别名: (5-甲基-2-呋喃基)甲醇; 5-甲糠醇; 5-甲基呋喃-1-甲醇
• 英文别名: (5-Methyl-2-furyl)methanol; 2-Furanmethanol, 5-methyl-; 5-Methyl-2-furanmethanol; T5OJ B1Q E1; MFCD00130134; 5-Methylfurfuryl alcohol; (5-methylfuran-2-yl)methanol

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 178.5±25.0 °C at 760 mmHg
• 分子式: C₆H₈O₂
• 分子量: 112.127
• 闪点: 61.8±23.2 °C
• 精确质量: 112.052429
• PSA: 33.37000
• LogP: 0.66
• 蒸汽压: 0.6±0.4 mmHg at 25°C
• 折射率: 1.495
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。

• 稳定性: 1. 避免与不相容材料接触。 2. 与强氧化剂反应。 3. 存在于烤烟烟叶、烟气中。
• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.5

  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:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积33.4

  7.重原子数量:8

  8.表面电荷:0

  9.复杂度:72.9

  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：黄色透明液体

  2. 密度（g/mL,25℃）：1.0769

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：195， 81ºC（3066pa）

  6. 沸点（ºC,15mmHg）：80

  7. 折射率(n20/D)：1.4835-1.4855

  8. 闪点（ºC）：未确定

  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（mPa,20ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：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：不溶于水，易溶于乙醇、乙醚。

生物活性

• 描述: 5-甲基-2-呋喃甲醇是一种天然产物,可从D。鲁皮科拉海滩酒店。。5-甲基-2-呋喃甲醇也是细胞色素P450(CYP)[1][2]氧化2,5-二甲基呋喃(DMF)的产物。
• 相关类别:
  研究领域 >> 其他
  信号通路 >> 其他 >> 其他
• 参考文献:

  [1]. Simona Casiglia, et al. Volatile constituents of Dianthus rupicola Biv. from Sicily: activity against microorganisms affecting cellulosic objects. Nat Prod Res. 2014;28(20):1739-46.

  [2]. Anja Hortemo Høie, et al. Genotoxicity of three food processing contaminants in transgenic mice expressing human sulfotransferases 1A1 and 1A2 as assessed by the in vivo alkaline single cell gel electrophoresis assay. Environ Mol Mutagen. 2015 Oct; 56(8): 709-714.

MSDS

Name: 5-Methyl-2-furanmethanol 97% Material Safety Data Sheet Synonym: None Known CAS: 3857-25-8 Section 1 - Chemical Product MSDS Name:5-Methyl-2-furanmethanol 97% Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 3857-25-8 5-Methyl-2-furanmethanol 97% unlisted Hazard Symbols: XN Risk Phrases: 20/21/22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: Harmful if inhaled. 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: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid. Skin: In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse. Ingestion: If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid. Inhalation: If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. 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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution. 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. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. 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: 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# 3857-25-8: 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: 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: colorless to yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 80 deg C @ 15 mmHg 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: Insoluble. Specific Gravity/Density: 1.0769 Molecular Formula: C6H8O2 Molecular Weight: 112.0548 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not currently available. Conditions to Avoid: None reported. 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# 3857-25-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 5-Methyl-2-furanmethanol - 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 Shipping Name: TOXIC LIQUID, N.O.S.* Hazard Class: 6.1 UN Number: 2810 Packing Group: III IMO Shipping Name: TOXIC LIQUID, N.O.S. Hazard Class: 6.1 UN Number: 2810 Packing Group: III RID/ADR Shipping Name: TOXIC LIQUID, N.O.S.* Hazard Class: 6.1 UN Number: 2810 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. Safety Phrases: S 36/37 Wear suitable protective clothing and gloves. WGK (Water Danger/Protection) CAS# 3857-25-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 3857-25-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 3857-25-8 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xn:Harmful;
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): S36/37
• 危险品运输编码: UN 2810
• 海关编码: 2932190090

合成路线

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制备

1. 烟草：FC，40。

海关

海关编码	2932190090
中文概述	2932190090 其他结构上有非稠合呋喃环化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:20.0%
申报要素	品名, 成分含量, 用途
Summary	2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%