6338-41-6

• 常用中文名：5-羟甲基-2-呋喃甲酸
• 常用英文名：5-Hydroxymethyl-2-furancarboxylic acid
• CAS号：6338-41-6
• 分子式：C₆H₆O₄
• 分子量：142.10900
• 相关类别： 研究领域 其他
• 发布时间：2018-03-25 08:00:00
• 更新时间：2024-01-03 16:22:22
• 5-Hydroxymethyl-2-furancarboxylic acid 是体内 5-羟甲基-2-糠醛 (HMF) 的主要代谢产物,并在肾脏中被消除。

名称

• 中文名: 5-羟甲基-2-呋喃甲酸
• 英文名: 5-Hydroxymethyl-2-furancarboxylic acid
• 中文别名: 5-(羟基甲基)-2-糠酸; 5-羟甲基呋喃甲酸
• 英文别名: 5-(hydroxymethyl)furan-2-carboxylic acid

物化性质

• 密度: 1.441 g/cm3
• 沸点: 349.4ºC at 760 mmHg
• 熔点: 247ºC (dec.)
• 分子式: C₆H₆O₄
• 分子量: 142.10900
• 闪点: 165.1ºC
• 精确质量: 142.02700
• PSA: 70.67000
• LogP: 0.47010
• 外观性状: 淡黄色固体
• 折射率: 1.561
• 储存条件: 0-10°C;存放于惰性气体之中;避免空气,加热
• 稳定性:

  1. 存在于烟气中。

• 水溶解性: 可溶于：甲醇
• 分子结构:

  1、 摩尔折射率：31.93

  2、 摩尔体积（cm³/mol）：98.5

  3、 等张比容（90.2K）：276.9

  4、 表面张力（dyne/cm）：62.2

  5、 极化率（10-24cm3）：12.65

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0

  2.氢键供体数量:2

  3.氢键受体数量:4

  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70.7

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:134

  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. 熔点（ºC）：115

生物活性

• 描述: 5-Hydroxymethyl-2-furancarboxylic acid 是体内 5-羟甲基-2-糠醛 (HMF) 的主要代谢产物,并在肾脏中被消除。
• 相关类别:
  天然产物 >> 酸和醛
  研究领域 >> 其他
• 靶点:

  Human Endogenous Metabolite

• 体外研究: 5-羟甲基-2-呋喃甲酸(HMFA)可用作暴露于HMF的生物标志物[1]。
• 参考文献:

  [1]. D.Jöbstl, et al. Analysis of 5-hydroxymethyl-2-furoic acid (HMFA) the main metabolite of alimentary 5-hydroxymethyl-2-furfural (HMF) with HPLC and GC in urine. Food Chemistry. 2010 Dec 1; 123 (3): 814-818.

MSDS

Material Safety Data Sheet Section1. Identification of the substance Product Name: 5-Hydroxymethyl-2-furancarboxylic acid Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation P261:Avoid breathing dust/fume/gas/mist/vapours/spray P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do – continue rinsing Section3. Composition/information on ingredients. Ingredient name:5-Hydroxymethyl-2-furancarboxylic acid CAS number:6338-41-6 Section4. First aid measures Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing contaminated clothing and shoes. If irritation persists, seek medical attention. Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate Eye contact: flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Storage:Store in closed vessels, refrigerated. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified No data Boiling point: Melting point:No data Flash point:No data Density:No data Molecular formula: C6H6O4 Molecular weight: 142.1 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi
• 海关编码: 2932190090

合成路线

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%