反-(4-乙氧基苯甲-3-丙烯酸

反-(4-乙氧基苯甲-3-丙烯酸 基本信息
CAS号 29582-31-8 分子式 C12H12O4
分子量 220.22100 精确质量  220.07400
PSA  63.60000 LogP  1.90880

基本信息 展开↓

CAS号:
29582-31-8
3D弹球模型:
立即前往扯扯看
分子式:
C12H12O4
分子量:
220.22100
中文名称:
反-(4-乙氧基苯甲-3-丙烯酸
英文名称:
(4-ETHOXYBENZOYL)-3-ACRYLIC ACID
中文别名:
反-(4-乙氧基苯甲-3-丙烯酸;
(4-乙氧基苯甲酰基)-3-丙烯酸;
3-(4-乙氧基苯甲酰)丙烯酸
英文别名:
(4-ETHOXYBENZOYL)-3-ACRYLIC ACID;
trans-(4-Ethoxybenzoyl)-3-acrylic acid
精确分子量/精确质量:
220.07400
极性分子表面积/PSA:
63.60000
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。
贝尔斯坦号/MDL:
MFCD00075337
InChI:
The Key: WKIKNOMECIZQHQ-BQYQJAHWSA-N

物化性质展开↓

外观与性状:
黄色结晶粉末
密度:
1.205g/cm3
熔点:
140-144ºC
沸点:
398.2ºC at 760mmHg
闪点:
155.2ºC
蒸汽压:
4.68E-07mmHg at 25°C
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):140-144

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:无可用

8.       闪点(ºC):无可用

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

安全信息展开↓

海关代码:
2918990090
危险类别码:
R36/37/38
安全说明:
S26-S37-S39
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。
:
危险标志:
Xn,Xi

合成路线查看所有的合成路线

  • 36680-28-1

    (Z)-3-(ethoxycarbonyl)propenoyl chloride

  • +

  • 103-73-1

    苯乙醚

  • 29582-31-8

    反-(4-乙氧基苯甲-3-丙烯酸

  • 108-31-6

    马来酸酐

  • +

  • 103-73-1

    苯乙醚

  • 29582-31-8

    反-(4-乙氧基苯甲-3-丙烯酸

毒理性展开↓

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: trans-(4-Ethoxybenzoyl)-3-acrylic acid 98% Material Safety Data Sheet
Synonym:
CAS: 29582-31-8
Section 1 - Chemical Product   MSDS Name:trans-(4-Ethoxybenzoyl)-3-acrylic acid 98% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
29582-31-8 trans-(4-Ethoxybenzoyl)-3-acrylic acid 98% unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes 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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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:
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# 29582-31-8: 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: Crystalline powder
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 140 - 144 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: Insoluble.
Specific Gravity/Density:
Molecular Formula: C12H12O4
Molecular Weight: 220.22

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# 29582-31-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
trans-(4-Ethoxybenzoyl)-3-acrylic acid - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 29582-31-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 29582-31-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 29582-31-8 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: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%

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:58.48

2   摩尔体积m3/mol182.7

3   等张比容(90.2K):477.4

4   表面张力dyne/cm46.6

5   极化率10-24cm323.18

计算化学数据


1、   疏水参数计算参考值(XlogP):2.4

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:4

5、   拓扑分子极性表面积(TPSA):66.4

6、   重原子数量:16

7、   表面电荷:-1

8、   复杂度:269

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

 

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  • 108-31-6

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