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单叔丁基琥珀酸酯 | 15026-17-2

单叔丁基琥珀酸酯
Mono-tert-Butyl succinate
15026-17-2
C8H14O4
174.1944
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:单叔丁基琥珀酸酯结构式
单叔丁基琥珀酸酯MOL
24878932
名称和标识符
MDL MFCD00273441
InChIKey PCOCFIOYWNCGBM-UHFFFAOYSA-N
Inchi 1S/C8H14O4/c1-8(2,3)12-7(11)5-4-6(9)10/h4-5H2,1-3H3,(H,9,10)
SMILES O(C(C([H])([H])C([H])([H])C(=O)O[H])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
别名信息
- 中文别名 -
  • 单叔丁基琥珀酸酯
  • 琥珀酸单叔丁酯
  • 琥珀酸氢叔丁酯
  • 4-(三级丁氧基)-4-氧代丁酸
- 英文别名 -
  • 4-(tert-Butoxy)-4-oxobutanoic acid
  • SUCCINIC ACID MONO-TERT-BUTYL ESTER
  • 4-Tert-butoxy-4-oxobutanoic acid
  • Mono-tert-butyl Succinate
  • 4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
  • tert-Butyl hydrogen succinate
  • Succiniccidono-tert-butylster
  • MONO-TERT-BUTYL SUCCINATE 97%
  • Butanedioic acid, 1-(1,1-diMethylethyl) ester
  • mono-tert-Butyl succinate ,97%
  • mono-t-butyl succinate
  • PubChem11616
  • Succinic acid 1-tert-butyl ester
  • succinic acid 4-tert-butyl ester
  • PCOCFIOYWNCGBM-UHFFFAOYSA-N
  • FC0594
  • LS40217
  • tert-Butyl Hydrogen Succinate
  • Succinic Acid Mono-tert-butyl Ester
  • Succinic acid mono-tert-butyl ester
  • MONO-TERT-BUTYL SUCCINATE
  • 15026-17-2
  • SCHEMBL631111
  • AS-19219
  • M3033
  • Butanedioic acid 1-(1,1-dimethylethyl) ester
  • MFCD00273441
  • mono-tert-Butyl succinate, 97%
  • tert-butyl hydrogen succinate
  • AKOS015918068
  • EN300-114582
  • FT-0650778
  • 4-tert-butoxy-4-oxobutanoic acid
  • BP-20383
  • CS-W008838
  • mono-tert-Butyl succinate
  • DTXSID90399798
  • SY031819
  • J-008675
物化性质
实验特性
LogP 1.19290
PSA 63.60000
折射率 1.447
水溶性 Slightly soluble in water.
沸点 92°C/1.5mmHg(lit.)
熔点 51.0 to 55.0 deg-C
闪点 华氏:230 °F
摄氏:110 °C
颜色与性状 Pale-yellow to Yellow-brown Solid
溶解性 不可用
密度 1.097
计算特性
精确分子量 174.08900
氢键供体数量 1
氢键受体数量 4
可旋转化学键数量 5
同位素质量 174.089
重原子数量 12
复杂度 178
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 0.5
互变异构体数量
表面电荷 0
拓扑分子极性表面积 63.6
国际标准相关数据
EINECS MFCD00273441
海关数据
海关编码 2918990090
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

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%

相关文献
专业数据库参考
PubChemId 24878932
参考资料
Reaxys RN 1772169
Beilstein 1772169
单叔丁基琥珀酸酯 MSDS
基础信息
  Material Safety Data Sheet

Section 1. Identi?cation of the substance
    Product Name:      Mono-tert-butyl succinate    
    Synonyms:

Section 2. Hazards identi?cation
    Harmful by inhalation, in contact with skin, and if swallowed.
    H315:        Causes skin irritation    
    H319:        Causes serious eye irritation    
    H335:        May cause respiratory irritation    
    P261:        Avoid breathing dust/fume/gas/mist/vapours/spray    
    P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
    and easy to do – continue rinsing

Section 3. Composition/information on ingredients.
    Ingredient name:        Mono-tert-butyl succinate    
    CAS number:        15026-17-2    

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing    
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate    
    ?ushing of the eyes by separating the eyelids with ?ngers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.    
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.    

Section 5. Fire ?ghting measures
    In the event of a ?re involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.

Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator    
    Hand precaution:        Wear suitable gloves/gauntlets    
    Skin protection:        Wear suitable protective clothing    
    Eye protection:        Wear suitable eye protection    
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly quali?ed    
    in the handling and use of potentially hazardous chemicals, who should take into account the ?re,
    health and chemical hazard data given on this sheet.
    Storage:        Store in closed vessels, refrigerated.    

Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
    Appearance:        Not speci?ed    
    Boiling point:        No data    
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula: C8H14O4
    Molecular weight: 174.2

Section 10. Stability and reactivity
    Conditions to avoid: Heat, ?ames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide.

Section 11. Toxicological information
    No data.

Section 12. Ecological information
    No data.

Section 13. Disposal consideration
    Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
    disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
    Non-harzardous for air and ground transportation.

Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A
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