4653-08-1

• 常用中文名：3-(2-噻吩甲基)丙酸
• 常用英文名：2-Thiophenebutanoicacid, g-oxo-
• CAS号：4653-08-1
• 分子式：C₈H₈O₃S
• 分子量：184.21200
• 发布时间：2018-09-30 15:06:23
• 更新时间：2024-01-12 14:54:58
• 下载msds

名称

• 中文名: 3-(2-噻吩甲酰基)丙酸
• 英文名: 4-oxo-4-(2-thienyl)butyric acid
• 中文别名: 4-羰基-4-(2-噻吩基)丁酸; 4-氧-4-(2-噻吩)丁酸
• 英文别名: 3-(2-Thenoyl)propionic Acid; MFCD00022502; 4-Oxo-4-(2-thienyl)butyric acid; 4-Oxo-4-(2-thienyl)butanoic acid; 3-(2-THENOYL)-PROPIONIC ACID; 4-oxo-4-thiophen-2-ylbutanoic acid; EINECS 225-089-5; 4-Oxo-4-(thiophen-2-yl)butanoic acid

物化性质

• 密度: 1.334g/cm3
• 沸点: 400.5ºC at 760mmHg
• 熔点: 118-121 °C(lit.)
• 分子式: C₈H₈O₃S
• 分子量: 184.21200
• 闪点: 196ºC
• 精确质量: 184.01900
• PSA: 82.61000
• LogP: 1.79560
• 储存条件: 室温，干燥
• 分子结构:

  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:

  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

• 更多:

  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.

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H315-H319-H335
• 警示性声明: P261-P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• 海关编码: 2934999090

合成路线

海关

海关编码	2934999090
中文概述	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
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%