2-Thiophenebutanoicacid, g-oxo-

物化性质

密度：

1.334g/cm3

熔点：

118-121 °C(lit.)

沸点：

400.5ºC at 760mmHg

闪点：

196ºC

存储条件/存储方法：

稳定性相关：

其它信息：

1. 性状：固体

2. 密度（g/mLat 25°C）：未确定

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：118-121

5. 沸点（ºC,常压）：未确定

6. 沸点（ºC,16mmHg）：未确定

7. 折射率（n20/D）：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（mmHg,37ºC）：未确定

12. 饱和蒸气压（kPa,114.4 ºC）：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（MPa）：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

密度：

1.334g/cm3

熔点：

118-121 °C(lit.)

沸点：

400.5ºC at 760mmHg

闪点：

196ºC

存储条件/存储方法：

稳定性相关：

其它信息：

1. 性状：固体

2. 密度（g/mLat 25°C）：未确定

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：118-121

5. 沸点（ºC,常压）：未确定

6. 沸点（ºC,16mmHg）：未确定

7. 折射率（n20/D）：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（mmHg,37ºC）：未确定

12. 饱和蒸气压（kPa,114.4 ºC）：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（MPa）：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

MSDS

Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product name: 4-Oxo-4-(2-thienyl)butyric acid
Section2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
According to Regulation (EC) No1272/2008
Skin irritation (Category 2)
Eye irritation (Category 2)
Specific target organ toxicity - single exposure (Category 3)
According to European Directive 67/548/EEC as amended.
Irritating to eyes, respiratory system and skin.
Label elements
Pictogram
Signal wordWarning
Hazard statement(s)
H315Causes skin irritation.
H319Causes serious eye irritation.
H335May cause respiratory irritation.
Precautionary statement(s)
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Hazard symbol(s)
XiIrritant
R-phrase(s)
R36/37/38Irritating to eyes, respiratory system and skin.
S-phrase(s)
S26In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S36Wear suitable protective clothing.
Other hazards - none
Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Formula: C8H8O3S
Molecular Weight: 184,21 g/mol
CAS-No.EC-No.Index-No.ClassificationConcentration
3-(2-Thenoyl)propionic acid
4653-08-1225-089-5-Skin Irrit. 2; Eye Irrit. 2; STOT -
SE 3; H315, H319, H335
Xi, R36/37/38
For the full text of the H-Statements mentioned in this Section, see Section 16.
Section4. FIRST AID MEASURES
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing give artificial respiration Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Section5. FIRE-FIGHTING MEASURES
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special protective equipment for fire-fighters
Wear self contained breathing apparatus for fire fighting if necessary.
Section6. ACCIDENTAL RELEASE MEASURES
Personal precautions
Use personal protective equipment. Avoid dust formation. Avoid breathing dust. Ensure adequate ventilation.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Keep in suitable, closed containers for disposal.
Section7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed. Normal measures for preventive fire
protection.
Conditions for safe storage
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Personal protective equipment
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a dust mask type N95 (US) or
type P1 (EN 143) respirator. Use respirators and components tested and approved under appropriate
government standards such as NIOSH (US) or CEN (EU).
Hand protection
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the
standard EN 374 derived from it.
Handle with gloves.
Eye protection
Safety glasses with side-shields conforming to EN166
Skin and body protection
Choose body protection according to the amount and concentration of the dangerous substance at the
work place.
Hygiene measures
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at
the end of workday.
Section9. PHYSICAL AND CHEMICAL PROPERTIES
Appearance
Formsolid
Safety data
pH no data available
Melting point118 - 121 °C - lit.
Boiling pointno data available
Flash pointno data available
Ignition temperature no data available
Lower explosion limit no data available
Upper explosion limit no data available
Water solubilityno data available
Section10. STABILITY AND REACTIVITY
Chemical stability
Stable under recommended storage conditions.
Conditions to avoid
no data available
Materials to avoid
Strong oxidizing agents
Hazardous decomposition products
Hazardous decomposition products formed under fire conditions. - Carbon oxides, Sulphur oxides
Section11. TOXICOLOGICAL INFORMATION
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
Inhalation - May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
InhalationMay be harmful if inhaled. Causes respiratory tract irritation.
IngestionMay be harmful if swallowed.
SkinMay be harmful if absorbed through skin. Causes skin irritation.
EyesCauses eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly
investigated.
Additional Information
RTECS: no data available
Section12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
PBT and vPvB assessment
no data available
Other adverse effects
no data available
Section13. DISPOSAL CONSIDERATIONS
Product
Observe all federal, state, and local environmental regulations. Contact a licensed professional waste
disposal service to dispose of this material. Dissolve or mix the material with a combustible solvent and burn
in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.
Section14. TRANSPORT INFORMATION
ADR/RID
Not dangerous goods
IMDG
Not dangerous goods
IATA
Not dangerous goods
Section15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Section16. OTHER INFORMATION
Text of H-code(s) and R-phrase(s) mentioned in Section 3
Eye Irrit.Eye irritation
H315Causes skin irritation.
H319Causes serious eye irritation.
H335May cause respiratory irritation.
Skin Irrit.Skin irritation
STOT SESpecific target organ toxicity - single exposure
XiIrritant
R36/37/38Irritating to eyes, respiratory system and skin.
Further information
Copyright 2010 Co. License granted to make unlimited paper copies for internal use only.
The above information is believed to be correct but does not purport to be all inclusive and shall be used
only as a guide. The information in this document is based on the present state of our knowledge and is
applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee
of the properties of the product. Co., shall not be held liable for any damage resulting from
handling or from contact with the above product. See reverse side of invoice or packing slip for additional
terms and conditions of sale.

海关数据

中国海关编码：2934999090

概述：

2934999090. 其他杂环化合物. 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:20.0%

申报要素：

品名, 成分含量, 用途

摘要/Summary：

2934999090. other heterocyclic compounds. 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

分子结构数据

1、摩尔折射率：45.49

2、摩尔体积（cm³/mol）：138

3、等张比容（90.2K）：376.9

4、表面张力（dyne/cm）：55.5

5、介电常数：无可用的

6、极化率（10^-24cm³）：18.03

7、单一同位素质量：184.019414Da

8、标称质量：184Da

9、平均质量：184.2123Da

计算化学数据

1、 疏水参数计算参考值（XlogP）：0.7

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：4

5、 互变异构体数量：2

6、 拓扑分子极性表面积（TPSA）：54.4

7、 重原子数量：12

8、 表面电荷：0

9、 复杂度：191

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