541-57-1

• 常用中文名：季酮酸
• 常用英文名：4-Hydroxyfuran-2(5H)-on
• CAS号：541-57-1
• 分子式：C₄H₄O₃
• 分子量：100.073
• 发布时间：2018-03-07 08:00:00
• 更新时间：2024-01-02 17:21:55

名称

• 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

物化性质

• 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

MSDS

Name: 4-Hydroxy-2(5h)-furanone 98% Material Safety Data Sheet Synonym: 2,4-(3H,5H)-Furandione; beta-Tetronic aci CAS: 541-57-1 Section 1 - Chemical Product MSDS Name:4-Hydroxy-2(5h)-furanone 98% Material Safety Data Sheet Synonym:2,4-(3H,5H)-Furandione; beta-Tetronic aci Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 541-57-1 4-Hydroxy-2(5H)-furanone, 98% 98% 208-785-3 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: 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

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

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): S24/25
• 海关编码: 2932209090

合成路线

21151-51-9 ~94% 541-57-1

文献：Schmidt, Diane Grob; Zimmer, Hans Synthetic Communications, 1981 , vol. 11, # 5 p. 385 - 390

128766-63-2 ~78% 541-57-1

文献：Sato; Sakaki; Takayama; Kobayashi; Suzuki; Kaneko Chemical and Pharmaceutical Bulletin, 1990 , vol. 38, # 1 p. 94 - 98

35594-15-1 ~% 541-57-1

文献：Heterocycles, , vol. 24, # 5 p. 1429 - 1431

69556-70-3 ~% 541-57-1

文献：Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , # 16 p. 1831 - 1834

上下游产品

上游产品  4
21151-51-9 128766-63-2 35594-15-1 69556-70-3
下游产品  10
109480-19-5 109480-18-4 143392-24-9 21151-51-9
22273-65-0 69556-70-3 1575-47-9 3516-65-2
828916-57-0 94512-47-7

海关

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%