2(5H)-Furanone,4-hydroxy-
- 中文别名：季酮酸
- 中文释义：4-羟基-2(5H)-呋喃酮;季酮酸
- 英文别名：4-Hydroxy-2(5H)-furanone;
Tetronic Acid;
3-hydroxy-2H-furan-5-one;
4-Hydroxyfuran-2(5H)-one
- CAS No.：541-57-1
- 分子式：C4H4O3
- 分子量：100.07
- 精确分子量：100.01600
- PSA：46.53000
- InChI：InChI=1/C4H4O3/c5-3-1-4(6)7-2-3/h1,5H,2H2
- 分子结构式：
物化性质
- 外观与性状：
- 淡黄色-米色结晶粉末
- 密度：
- 1.55g/cm3
- 熔点：
- 135-137 °C
- 沸点：
- 224.3ºC at 760mmHg
- 闪点：
- 106.7ºC
- 水溶解性：
- soluble
- 折射率：
- 1.577
- 存储条件/存储方法：
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。
- 稳定性相关：
按规格使用和贮存，不会发生分解，避免与氧化物接触
- 其它信息：
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
安全信息
- 外观与性状：
- 淡黄色-米色结晶粉末
- 密度：
- 1.55g/cm3
- 熔点：
- 135-137 °C
- 沸点：
- 224.3ºC at 760mmHg
- 闪点：
- 106.7ºC
- 水溶解性：
- soluble
- 折射率：
- 1.577
- 存储条件/存储方法：
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。
- 稳定性相关：
按规格使用和贮存，不会发生分解，避免与氧化物接触
- 其它信息：
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
毒理性
- 毒理学数据：
暂无
- 生态数据：
该物质对环境可能有危害，对水体应给予特别注意。
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
海关数据
中国海关编码：2932209090
- 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
- 摘要/Summary：
- 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
分子结构与计算化学数据
分子结构数据
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
计算化学数据
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
