乙基 (2S)-2,3-环氧树脂丙烷酸酯

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学

乙基 (2S)-2,3-环氧树脂丙烷酸酯 基本信息

中文名称:
乙基 (2S)-2,3-环氧树脂丙烷酸酯 
中文别名:
乙基 (2S)-2,3-环氧树脂丙烷酸酯;
(2s)-2 3-环氧基丙酸乙酯 
英文名称:
2-Oxiranecarboxylicacid, ethyl ester, (2S)-
英文别名:
ethyl (2S)-oxirane-2-carboxylate;
ethyl (2R)-2,3-epoxypropanoate;
2-Oxiranecarboxylicacid,ethyl ester,(2S);
Oxiranecarboxylicacid,ethyl ester,(2S)-(9CI);
(R)-(+)-glycidate d'ethyle;
ethyl (2R)-2,3-epoxypropionate;
ethyl (R)-oxiranecarboxylate;
Oxiranecarboxylic acid,ethyl ester,(S);
ethyl (R)-2,3-epoxypropanoate;
(2R)-ethyl 2,3-epoxypropanoate 
CAS No.:
111058-34-5
分 子 式:
C5H8O3
分 子 量:
116.12
精确分子量:
116.04700
PSA:
38.83000
MDL:
MFCD00067058
InChI:
The Key: LSGWSXRILNPXKJ-SCSAIBSYSA-N
风险术语:
R10R22
安全术语:
S16
分子结构式:
SDS:
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乙基 (2S)-2,3-环氧树脂丙烷酸酯 物化性质

密度:
1.18 g/cm3
沸点:
68-69ºC (15 mmHg)
闪点:
45ºC
折射率:
1.419-1.421
存储条件/存储方法:

 

密闭于0-6 ºC阴凉干燥环境中

稳定性相关:

 

 

遵照规定使用和储存则不会分解。

其它信息:

1.       性状:无可用

2.       密度(g/mL,25/4):无可用

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):无可用

5.       沸点(ºC,常压):68-69

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:1.419-1.421

8.       闪点(ºC):45

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

乙基 (2S)-2,3-环氧树脂丙烷酸酯 安全信息

危险类别码:
R22
安全说明:
26
安全标志:
S16:远离火源。
危险标志:
Xn: Harmful;

乙基 (2S)-2,3-环氧树脂丙烷酸酯 毒理性

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。

乙基 (2S)-2,3-环氧树脂丙烷酸酯 MSDS

Name: Ethyl (2s)-2 3-epoxypropanoate 97% Material Safety Data Sheet
Synonym: (-)-Ethyl (2S)-oxiranecarboxylate; (S)-(-)-Ethyl glycidat
CAS: 111058-34-5
Section 1 - Chemical Product   MSDS Name:Ethyl (2s)-2 3-epoxypropanoate 97% Material Safety Data Sheet
Synonym:(-)-Ethyl (2S)-oxiranecarboxylate; (S)-(-)-Ethyl glycidat

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
111058-34-5 Ethyl (2S)-2,3-epoxypropanoate, 97% 97% unlisted
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.Hygroscopic (absorbs moisture from the air).
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation.
Chronic:
Not available.

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:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. Get medical aid if cough or other symptoms appear.
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 foam, dry chemical, or carbon dioxide.

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.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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.
Exposure Limits CAS# 111058-34-5: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear a chemical apron.
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: Liquid
Color: Clear
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 68 - 69 deg C @ 15.00mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C5H8O3
Molecular Weight: 116.11

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Exposure to moist air or water.
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# 111058-34-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl (2S)-2,3-epoxypropanoate, 97% - 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# 111058-34-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 111058-34-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 111058-34-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

乙基 (2S)-2,3-环氧树脂丙烷酸酯 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:26.41

2、   摩尔体积(m3/mol):98.4

3、   等张比容(90.2K):244.4

4、   表面张力(dyne/cm):38.0

5、   极化率10-24cm3):10.47

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:3

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积38.8

7.重原子数量:8

8.表面电荷:0

9.复杂度:99.8

10.同位素原子数量:0

11.确定原子立构中心数量:1

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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