3-乙氧基-2-丁炔羧酸乙酯

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

3-乙氧基-2-丁炔羧酸乙酯 基本信息

中文名称:
3-乙氧基-2-丁炔羧酸乙酯 
中文别名:
3-乙氧基-2-丁炔羧酸乙酯;
3-乙氧基-2-丁烯酸乙酯 
英文名称:
2-Butenoic acid,3-ethoxy-, ethyl ester
英文别名:
ETHYL 3-ETHOXYBUT-2-ENOATE;
Ethyl 3-ethoxycrotonate;
ETHYL 3-ETHOXY-2-BUTENOATE;
3-Ethoxycrotonic acid ethyl ester;
3-ethoxy-but-2-enoic acid ethyl ester;
3-Ethoxy-2-butenoic acid ethyl ester;
ethyl3-ethoxybut-2-enoate;
Crotonic acid,3-ethoxy-,ethyl ester 
CAS No.:
998-91-4
分 子 式:
C8H14O3
分 子 量:
158.19
精确分子量:
158.09400
PSA:
35.53000
MDL:
MFCD00026932
EINECS:
213-652-8
BRN:
1757006
危险品标志:
Xi
风险术语:
R36/37/38
安全术语:
S24/25;
分子结构式:
SDS:
查看

3-乙氧基-2-丁炔羧酸乙酯 物化性质

密度:
0.965
熔点:
30ºC
沸点:
86-88ºC (14 torr)
闪点:
58.3ºC
折射率:
1.4535
存储条件/存储方法:

保持容器密封,储存在阴凉,干燥的地方 

稳定性相关:

常温常压下稳定,避免强氧化剂 接触

其它信息:

1.       性状:未确定

2.       密度(g/mL,25):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):30-32

5.       沸点(ºC,常压):195-200

6.       沸点(ºC,755mmHg):未确定

7.       折射率:1.4535

8.       闪点(ºF):137

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,60ºC):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

3-乙氧基-2-丁炔羧酸乙酯 安全信息

海关代码:
2918990090
危险类别码:
R36/37/38
安全说明:
S24/25
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S27:立刻除去所有污染衣物。
:
危险标志:
Xi: Irritant;

3-乙氧基-2-丁炔羧酸乙酯 毒理性

生态数据:

通常对水是不危害的,若无政府许可,勿将材料排入周围环境。

3-乙氧基-2-丁炔羧酸乙酯 MSDS

Name: Ethyl 3-ethoxybut-2-enoate 97% Material Safety Data Sheet
Synonym:
CAS: 998-91-4
Section 1 - Chemical Product   MSDS Name:Ethyl 3-ethoxybut-2-enoate 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
998-91-4 Ethyl 3-ethoxybut-2-enoate 97% 213-652-8
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:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
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:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.

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:
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 998-91-4: Personal Protective Equipment Eyes: Not available.
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: colorless - white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 86 - 88 deg C @14mmHg
Freezing/Melting Point: 30 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:
Specific Gravity/Density:
Molecular Formula: C8H14O3
Molecular Weight: 158

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
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# 998-91-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 3-ethoxybut-2-enoate - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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# 998-91-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 998-91-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 998-91-4 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

3-乙氧基-2-丁炔羧酸乙酯 海关数据

中国海关编码:2918990090

概述:
2918990090. 其他含其他附加含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 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:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

3-乙氧基-2-丁炔羧酸乙酯 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:42.53

2、   摩尔体积(m3/mol):163.8

3、   等张比容(90.2K):378.2

4、   表面张力(dyne/cm):28.3

5、   极化率10-24cm3):16.86

计算化学数据

1、   疏水参数计算参考值(XlogP):1.4

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:5

5、   拓扑分子极性表面积(TPSA):35.5

6、   重原子数量:11

7、   表面电荷:0

8、   复杂度:149

9、   同位素原子数量:0

10、   确定原子立构中心数量:0

11、   不确定原子立构中心数量:0

12、   确定化学键立构中心数量:1

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:1

3-乙氧基-2-丁炔羧酸乙酯 上游产品

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