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| 中文名 | 4-羟基-2(5H)-呋喃酮 |
|---|---|
| 英文名 | 4-Hydroxy-2(5H)-furanone |
| 中文别名 | 季酮酸 |
| 英文别名 |
MFCD00052187
Tetronic Acid 4-Hydroxyfuran-2(5H)-on EINECS 208-785-3 4-Hydroxy-2(5H)-furanone 4-hydroxyfuran-2(5H)-one 2(5H)-Furanone, 4-hydroxy- 3-hydroxy-2H-furan-5-one |
| 密度 | 1.6±0.1 g/cm3 |
|---|---|
| 沸点 | 316.0±42.0 °C at 760 mmHg |
| 熔点 | 135-137 °C |
| 分子式 | C4H4O3 |
| 分子量 | 100.073 |
| 闪点 | 162.0±20.7 °C |
| 精确质量 | 100.016045 |
| PSA | 46.53000 |
| LogP | -1.35 |
| 外观性状 | 淡黄色-米色结晶粉末 |
| 蒸汽压 | 0.0±1.5 mmHg at 25°C |
| 折射率 | 1.577 |
| 储存条件 | 储存于阴凉、干燥、通风良好的库房。远离火种、热源。防止阳光直射。包装密封。应与酸类、食用化学品分开存放，切忌混储。储区应备有合适的材料收容泄漏物。 |
| 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 | soluble |
| 分子结构 | 1、 摩尔折射率：20.31 2、 摩尔体积（m3/mol）：72.7 3、 等张比容（90.2K）：191.2 4、 表面张力（dyne/cm）：47.7 5、 极化率（10-24cm3）：8.05 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:-0.4 2.氢键供体数量:1 3.氢键受体数量:3 4.可旋转化学键数量:0 5.互变异构体数量:5 6.拓扑分子极性表面积46.5 7.重原子数量:7 8.表面电荷:0 9.复杂度:125 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：浅黄色固体 2. 密度（g/ cm3,25/4℃）：未确定 3. 相对蒸汽密度（g/cm3,空气=1）：未确定 4. 熔点（ºC）：140 5. 沸点（ºC,常压）：263 6. 沸点（ºC,8kPa）：未确定 7. 折射率：未确定 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（kPa,25ºC）：未确定 12. 饱和蒸气压（kPa,55.1ºC）：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：未确定 |
Synonym:2,4-(3H,5H)-Furandione; beta-Tetronic aci Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Not available. Potential Health Effects Eye: May cause eye irritation. Skin: Non-irritating to the skin. Ingestion: Low hazard for usual industrial handling. Inhalation: May cause respiratory tract irritation. 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. Skin: Get medical aid if irritation develops or persists. Flush skin with plenty of soap and water. Ingestion: If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. 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: Use with adequate ventilation. Avoid contact with skin and eyes. 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: Good general ventilation should be sufficient to control airborne levels. Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Exposure Limits CAS# 541-57-1: 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: Solid Color: light yellow-beige Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 142 - 143 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: soluble Specific Gravity/Density: Molecular Formula: C4H4O3 Molecular Weight: 100.07 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable. 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# 541-57-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-Hydroxy-2(5H)-furanone, 98% - 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. WGK (Water Danger/Protection) CAS# 541-57-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 541-57-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 541-57-1 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
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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。
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~94%
541-57-1 |
| 文献：Schmidt, Diane Grob; Zimmer, Hans Synthetic Communications, 1981 , vol. 11, # 5 p. 385 - 390 |
|
~78%
541-57-1 |
| 文献：Sato; Sakaki; Takayama; Kobayashi; Suzuki; Kaneko Chemical and Pharmaceutical Bulletin, 1990 , vol. 38, # 1 p. 94 - 98 |
|
~%
541-57-1 |
| 文献：Heterocycles, , vol. 24, # 5 p. 1429 - 1431 |
|
~%
541-57-1 |
| 文献：Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , # 16 p. 1831 - 1834 |
| 上游产品 4 | |
|---|---|
| 下游产品 10 | |
| 海关编码 | 2932209090 |
|---|---|
| 中文概述 | 2932209090. 其他内酯. 增值税率:17.0%. 退税率:13.0%. 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 | 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
