丙酮草酸乙酯

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品
  • 表征图谱

丙酮草酸乙酯 基本信息

中文名称:
丙酮草酸乙酯 
中文别名:
乙酰丙酮酸乙酯;
丙酮草酸乙酯;
2,4-二酮戊酸乙酯 
英文名称:
Pentanoic acid,2,4-dioxo-, ethyl ester
英文别名:
Ethyl 2,4-dioxovalerate;
ethyl 2,4-dioxopentanoate 
CAS No.:
615-79-2
分 子 式:
C7H10O4
分 子 量:
158.15
精确分子量:
158.05800
PSA:
60.44000
MDL:
MFCD00009124
EINECS:
210-447-5
BRN:
607062
InChI:
InChI=1/C7H10O4/c1-3-11-7(10)6(9)4-5(2)8/h4,9H,3H2,1-2H3/b6-4-
风险术语:
S23;S24/25
安全术语:
S23;S24/25
分子结构式:
SDS:
查看

丙酮草酸乙酯 制备方法及用途

制备方法

1.生产方法:

合成制备方法

1.生产方法:

用途简介

用途;

用途

用途;

丙酮草酸乙酯 物化性质

外观与性状:
透明非常淡黄色液体
密度:
1.126 g/mL at 25 °C(lit.)
熔点:
16-18 °C(lit.)
沸点:
101-103 °C12 mm Hg(lit.)
闪点:
>230 °F
折射率:
n20/D 1.474(lit.)
存储条件/存储方法:

贮存:

将密器密封,储存密封的主藏器内,并放在阴凉, 干爽的位置。

稳定性相关:

性质与稳定性:

常温常压下,或不分解产物。

其它信息:

一、物性数据

1.     熔点(ºC):16-18ºC

2.     沸点(ºC,常压):101-103 °C12 mm Hg(lit.)

3.     密度:1.126 g/mL at 25 °C(lit.

4.     折射率:n20/D 1.474(lit.)

5.     闪点(ºC):230 °F

丙酮草酸乙酯 安全信息

海关代码:
29183000
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R22
安全说明:
S23-S24/25
安全标志:
S23:不要吸入蒸汽。
S24/25:防止皮肤和眼睛接触。
危险标志:
Xn

丙酮草酸乙酯 毒理性

生态数据:

三、生态学数据:

1、其它有害作用:该物质对环境可能有危害,对水体应给予特别注意。

丙酮草酸乙酯 MSDS

Name: Ethyl 2 4-dioxovalerate 98% Material Safety Data Sheet
Synonym: None
CAS: 615-79-2
Section 1 - Chemical Product   MSDS Name:Ethyl 2 4-dioxovalerate 98% Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
615-79-2 Ethyl 2,4-dioxovalerate 98 210-447-5
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
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 immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 615-79-2: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: clear very slight yellow
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 101 - 103 deg C @ 12.00mmHg
Freezing/Melting Point: 16.00 - 18.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: > 112 deg C (> 233.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: 1.1260g/cm3
Molecular Formula: C7H10O4
Molecular Weight: 158.15

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Acids, bases, oxidizing agents, reducing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 615-79-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 2,4-dioxovalerate - 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# 615-79-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 615-79-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 615-79-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

丙酮草酸乙酯 分子结构与计算化学数据

分子结构数据

五、分子性质数据:

1、   摩尔折射率:36.31

2、   摩尔体积(cm3/mol):141.8

3、   等张比容(90.2K):345.5

4、   表面张力(dyne/cm):35.2

5、 极化率(10-24cm3):14.39

计算化学数据

1.疏水参数计算参考值(XlogP):0.2

2.氢键供体数量:0

3.氢键受体数量:4

4.可旋转化学键数量:5

5.互变异构体数量:5

6.拓扑分子极性表面积60.4

7.重原子数量:11

8.表面电荷:0

9.复杂度:183

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

丙酮草酸乙酯 上游产品

丙酮草酸乙酯 表征图谱

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