己酸鈉

己酸鈉 基本信息
CAS号 10051-44-2 分子式 C6H11NaO2
分子量 138.14000 精确质量  138.06600
PSA  40.13000 LogP  0.31660

基本信息 展开↓

CAS号:
10051-44-2
3D弹球模型:
立即前往扯扯看
分子式:
C6H11NaO2
分子量:
138.14000
中文名称:
己酸鈉
英文名称:
N-CAPROIC ACID SODIUM SALT
中文别名:
己酸鈉;
己酸钠
英文别名:
N-CAPROIC ACID SODIUM SALT;
sodium,hexanoate;
SodiuM Hexanoate
精确分子量/精确质量:
138.06600
极性分子表面积/PSA:
40.13000
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:
MFCD00059056
EINECS:
233-179-0
BRN:
3631527
InChI:
InChI=1/C6H12O2.Na/c1-2-3-4-5-6(7)8;/h2-5H2,1H3,(H,7,8);/q;+1/p-1

生产制备方法及用途展开↓

制备方法


气相色谱有机合成原料

合成制备方法


用途简介


用途


有机合成原料。

物化性质展开↓

熔点:
-3.4ºC
沸点:
204.6ºC at 760mmHg
闪点:
90.3ºC
蒸汽压:
0.158mmHg at 25°C
存储条件/存储方法:

密闭、阴凉干燥处。

内衬塑料袋,外用编织袋包装。按一般化学品规定贮运。

稳定性相关:

本品低毒。参见己酸。
 

其它信息:

 

安全信息展开↓

海关代码:
2915900090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
36/37/38
安全说明:
S26-S36
危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

  • 129990-65-4

    己硒酸, 钠盐

  • ~87%

  • 10051-44-2

    己酸鈉

  • 956-75-2

    对己酸对硝基苯酯

  • 10051-44-2

    己酸鈉

  • +

  • 824-78-2

    对硝基酚钠

  • 142-62-1

    己酸

  • 10051-44-2

    己酸鈉

化学图谱

  1. 己酸钠红外图谱(IR1)

上一页 1/4 下一页

MSDS 展开↓


Section 1. Chemical Product and Company Identification
    Hexanoic Acid, Sodium Salt
    Common Name/
    Trade Name
    Hexanoic Acid, Sodium Salt

Section 4. First Aid Measures
    Eye Contact        Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at    
    least 15 minutes. Cold water may be used. Get medical attention.
    Skin Contact        In case of contact, immediately flush skin with plenty of water. Cover the irritated skin with an emollient. Remove    
    contaminated clothing and shoes. Cold water may be used.Wash clothing before reuse. Thoroughly clean shoes
    before reuse. Get medical attention.
    Serious Skin Contact        Wash with a disinfectant soap and cover the contaminated skin with an anti-bacterial cream. Seek medical    
    attention.
    Inhalation        If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get    
    medical attention.
    Serious Inhalation        Not available.    
    Ingestion        Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an    
    unconscious person. If large quantities of this material are swallowed, call a physician immediately. Loosen tight
    clothing such as a collar, tie, belt or waistband.
    Serious Ingestion        Not available.    

Section 5. Fire and Explosion Data
    Flammability of the Product May be combustible at high temperature.
    Auto-Ignition Temperature Not available.
    Flash Points        Not available.    
    Flammable Limits        Not available.    
    Products of Combustion        These products are carbon oxides (CO, CO2).    
    Fire Hazards in Presence of Slightly flammable to flammable in presence of heat.
    Various Substances
    Explosion Hazards in Presence Risks of explosion of the product in presence of mechanical impact: Not available.
    of Various Substances        Risks of explosion of the product in presence of static discharge: Not available.    
    Fire Fighting Media        SMALL FIRE: Use DRY chemical powder.    
    and Instructions        LARGE FIRE: Use water spray, fog or foam. Do not use water jet.    
    Special Remarks on        As with most organic solids, fire is possible at elevated temperatures    
    Fire Hazards
    Special Remarks on Explosion Fine dust dispersed in air in sufficient concentrations, and in the presence of an ignition source is a potential dust
    Hazards        explosion hazard.    

Section 6. Accidental Release Measures
    Small Spill        Use appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by    
    spreading water on the contaminated surface and dispose of according to local and regional authority
    requirements.
    Large Spill        Use a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water    
    on the contaminated surface and allow to evacuate through the sanitary system.
    Hexanoic Acid, Sodium Salt

Section 7. Handling and Storage
    Precautions        Keep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do not    
    breathe dust. Wear suitable protective clothing. In case of insufficient ventilation, wear suitable respiratory
    equipment. If you feel unwell, seek medical attention and show the label when possible. Avoid contact with skin
    and eyes. Keep away from incompatibles such as oxidizing agents.
    Storage        Keep container tightly closed. Keep container in a cool, well-ventilated area. Do not store above 8°C (46.4°F).    
    Refrigerate.

Section 8. Exposure Controls/Personal Protection
    Engineering Controls        Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below    
    recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
    airborne contaminants below the exposure limit.
    Personal Protection        Splash goggles. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent.    
    Gloves.
    Personal Protection in Case of Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used
    a Large Spill        to avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist    
    BEFORE handling this product.
    Exposure Limits        Not available.    

Section 9. Physical and Chemical Properties
    Physical state and appearance Solid. (Powdered solid.)        Odor        Not available.    
    Not available.
    Taste
    Molecular Weight        138.14 g/mole    
    Not available.
    Color
    Not available.
    pH (1% soln/water)
    Boiling Point        Not available.    
    Melting Point        Not available.    
    Critical Temperature        Not available.    
    Specific Gravity        Not available.    
    Not applicable.
    Vapor Pressure
    Vapor Density        Not available.    
    Not available.
    Volatility
    Odor Threshold        Not available.    
    Water/Oil Dist. Coeff.        Not available.    
    Ionicity (in Water)        Not available.    
    Dispersion Properties        See solubility in water.    
    Solubility        Soluble in cold water, hot water.    

Section 10. Stability and Reactivity Data
    Stability        The product is stable.    
    Instability Temperature        Not available.    
    Conditions of Instability        Excess heat, incompatible materials    
    Incompatibility with various        Reactive with oxidizing agents.    
    substances
    Corrosivity        Not available.    
    Hexanoic Acid, Sodium Salt
    Special Remarks on        Not available.    
    Reactivity
    Special Remarks on        Not available.    
    Corrosivity
    Polymerization        Will not occur.    

Section 11. Toxicological Information
    Routes of Entry        Inhalation. Ingestion.    
    Toxicity to Animals        LD50: Not available.    
    LC50: Not available.
    Chronic Effects on Humans Not available.
    Other Toxic Effects on        Hazardous in case of skin contact (irritant), of inhalation.    
    Humans        Slightly hazardous in case of ingestion.    
    Special Remarks on        Not available.    
    Toxicity to Animals
    Special Remarks on        Not available.    
    Chronic Effects on Humans
    Special Remarks on other        Acute Potential Health Effects:    
    Toxic Effects on Humans        Skin: Causes skin irritation.    
    Eyes: Causes eye irritation.
    Inhalation: Causes respiratory tract and mucous membrane irritation.
    Ingestion: May be harmful if swallowed. May affect behavior'/central nervous system (irritabililtiy, confusion,
    convulsions), blood (changes in blood serum composition).
    Chronic Potential Health Effects:
    Ingestion: Repeated or prolonged ingestion may affect behavior/central nevous system
    Note: The above toxicological information was extrapolated from Hexanoic acid.

Section 12. Ecological Information
    Ecotoxicity        Not available.    
    Not available.
    BOD5 and COD
    Possibly hazardous short term degradation products are not likely. However, long term degradation products may
    Products of Biodegradation
    arise.
    Toxicity of the Products        The product itself and its products of degradation are not toxic.    
    of Biodegradation
    Special Remarks on the        Not available.    
    Products of Biodegradation

Section 13. Disposal Considerations
    Waste Disposal        Waste must be disposed of in accordance with federal, state and local environmental    
    control regulations.
    Hexanoic Acid, Sodium Salt

Section 14. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    Identification        Not applicable.    
    Not applicable.
    Special Provisions for
    Transport
    DOT (Pictograms)

Section 15. Other Regulatory Information and Pictograms
    TSCA 8(b) inventory: Hexanoic Acid, Sodium Salt
    Federal and State
    Regulations
    California        California prop. 65: This product contains the following ingredients for which the State of California has found    
    to cause cancer which would require a warning under the statute: No products were found.
    Proposition 65
    Warnings
    California prop. 65: This product contains the following ingredients for which the State of California has found
    to cause birth defects which would require a warning under the statute: No products were found.
    Other Regulations        EINECS: This product is on the European Inventory of Existing Commercial Chemical Substances.    
    Other Classifications        WHMIS (Canada) Not controlled under WHMIS (Canada).    
    DSCL (EEC)        R36/37/38- Irritating to eyes,        S26- In case of contact with eyes, rinse    
    respiratory system and skin.        immediately with plenty of water and seek    
    medical advice.
    S36- Wear suitable protective clothing.
    Health Hazard
    HMIS (U.S.A.)        2 National Fire Protection    
    1 Flammability
    1 Association (U.S.A.)
    Fire Hazard
    2 0 Reactivity
    Health
    Reactivity
    0
    Specific hazard
    Personal Protection
    E
    WHMIS (Canada)
    (Pictograms)
    DSCL (Europe)
    (Pictograms)
    TDG (Canada)
    (Pictograms)
    ADR (Europe)
    (Pictograms)
    Hexanoic Acid, Sodium Salt
    Protective Equipment
    Gloves.
    Lab coat.
    Dust respirator. Be sure to use an
    approved/certified respirator or
    equivalent.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2915900090

概述:
2915900090. 其他饱和无环一元羧酸及其酸酐(酰卤、过氧)化物、过氧酸及其卤化、硝化、磺化、亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:5.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
监管条件:
A.入境货物通关单B.出境货物通关单
检验检疫:
R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
摘要/Summary:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% 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:无可用的

2、摩尔体积(cm3/mol):无可用的

3、等张比容(90.2K):无可用的

4、表面张力(dyne/cm):无可用的

5、介电常数:无可用的

6、极化率(10-24cm3):无可用的

7、单一同位素质量:138.065675 Da

8、标称质量:138 Da

9、平均质量:138.1401 Da

计算化学数据


1、   疏水参数计算参考值(XlogP):未确定

2、   氢键供体数量:0

3、   氢键受体数量:2

4、   可旋转化学键数量:4

5、   拓扑分子极性表面积(TPSA):40.1

6、   重原子数量:9

7、   表面电荷:0

8、   复杂度: 73.5

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:0

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:2

上下游相关产品

上游产品

更多
  • 142-61-0

    己酰氯

  • 142-62-1

    己酸

  • 956-75-2

    对己酸对硝基苯酯

下游产品

更多
  • 107-87-9

    2-戊酮

  • 111-27-3

    正己醇

  • 123-66-0

    正己酸乙酯

  • 64-17-5

    乙醇

  • 78-83-1

    异丁醇

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便