4-羟基-2(5H)-呋喃酮

4-羟基-2(5H)-呋喃酮 基本信息
CAS号 541-57-1 分子式 C4H4O3
分子量 100.07300 精确质量  100.01600
PSA  46.53000 LogP  -0.01490

基本信息 展开↓

CAS号:
541-57-1
3D弹球模型:
立即前往扯扯看
分子式:
C4H4O3
分子量:
100.07300
中文名称:
4-羟基-2(5H)-呋喃酮
英文名称:
4-Hydroxy-2(5H)-furanone
中文别名:
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
精确分子量/精确质量:
100.01600
极性分子表面积/PSA:
46.53000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
EINECS:
208-785-3
InChI:
InChI=1/C4H4O3/c5-3-1-4(6)7-2-3/h1,5H,2H2

生产制备方法及用途展开↓

合成制备方法


暂无

用途


暂无

物化性质展开↓

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

安全信息展开↓

海关代码:
2932209090
危险类别码:
36/37/38
安全说明:
S24/25
安全标志:
S24/25:防止皮肤和眼睛接触。
危险标志:
Xi

合成路线查看所有的合成路线

  • 21151-51-9

    4-bromo-3-hydroxy-2H-furan-5-one

  • ~94%

  • 541-57-1

    4-羟基-2(5H)-呋喃酮

  • 128766-63-2

    6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxin-4-one

  • ~78%

  • 541-57-1

    4-羟基-2(5H)-呋喃酮

  • 69556-70-3

    4-甲氧基-呋喃酮

  • 541-57-1

    4-羟基-2(5H)-呋喃酮

毒理性展开↓

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 展开↓

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

海关数据查看详细

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展开↓

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

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