一水乙酰丙酮钠

一水乙酰丙酮钠 基本信息
CAS号 86891-03-4 分子式 C5H9NaO3
分子量 140.11300 精确质量  140.04500
PSA  49.36000 LogP  0.84540

基本信息 展开↓

CAS号:
86891-03-4
3D弹球模型:
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分子式:
C5H9NaO3
分子量:
140.11300
中文名称:
一水乙酰丙酮钠
英文名称:
SODIUM 2,4-PENTANEDIONATE
中文别名:
一水乙酰丙酮钠;
水合乙酰丙酮钠
英文别名:
SODIUM 2,4-PENTANEDIONATE;
ACETYLACETONE,SODIUM DERIVATIVE;
SODIUM ACETYLACETONATE MONOHYDRATE;
Sodium 2,4-pentanedionate hydrate;
Na(acac)*H2O;
2,4-PENTANEDIONE SODIUM SALT;
sodium pentane-2,4-dionate monohydrate;
SODIUM ACETYLACETONATE;
sodium acetylacetonate hydrate;
Na(acetylacetonato)*H2O;
2,4-PENTANEDIONE,SODIUM DERIVATIVE
精确分子量/精确质量:
140.04500
极性分子表面积/PSA:
49.36000
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:
MFCD00078034
EINECS:
239-448-9
InChI:
The Key: SGBUDUYYJQXPFY-UHFFFAOYSA-N

物化性质展开↓

熔点:
230ºC
稳定性相关:

按规定使用和贮存的不会分解,避潮湿

其它信息:

1.     性状:未确定

2.     密度(g/mL25ºC):未确定

3.     相对蒸汽密度(g/mL,空气=1):未确定

4.     熔点(ºC):230

5.     沸点(ºC,常压):未确定

6.     沸点(ºC0.5mmHg):未确定

7.     折射率: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(Pa,25):未确定

12.  饱和蒸气压(kPa,60ºC):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(KPa):未确定

16.  油水(正辛醇/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

安全信息展开↓

海关代码:
2915900090
危险类别码:
20/21/22-36/37/38-40
安全说明:
S26-S36-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

MSDS 展开↓


Section 1. Chemical Product and Company Identification
    Sodium Acetylacetonate Monohydrate
    Common Name/
    Trade Name
    Sodium Acetylacetonate Monohydrate

Section 4. First Aid Measures
    Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least
    Eye Contact
    15 minutes. Get medical attention if irritation occurs.
    Wash with soap and water. Cover the irritated skin with an emollient. Get medical attention if irritation develops.
    Skin Contact
    Serious Skin Contact        Not available.    
    Inhalation        If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get    
    medical attention.
    Not available.
    Serious Inhalation
    Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an
    Ingestion
    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.
    Not available.
    Serious Ingestion

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

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

Section 7. Handling and Storage
    Keep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do not
    Precautions
    breathe dust. Keep away from incompatibles such as oxidizing agents, acids.
    Keep container tightly closed. Keep container in a cool, well-ventilated area. Hygroscopic
    Storage

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

Section 9. Physical and Chemical Properties
    Solid. (Powdered solid.)        Not available.    
    Physical state and        O dor    
    appearance
    Not available.
    Taste
    140.11 g/mole
    Molecular Weight
    Beige. Off-white. (Light.)
    Color
    Not available.
    pH (1% soln/water)
    Not available.
    Boiling Point
    Not available.
    Melting Point
    Not available.
    Critical Temperature
    Not available.
    Specific Gravity
    Not applicable.
    Vapor Pressure
    Not available.
    Vapor Density
    Not available.
    Volatility
    Not available.
    Odor Threshold
    Not available.
    Water/Oil Dist. Coeff.
    Not available.
    Ionicity (in Water)
    Not available.
    Dispersion Properties
    Not available.
    Solubility

Section 10. Stability and Reactivity Data
    The product is stable.
    Stability
    Not available.
    Instability Temperature
    Conditions of Instability Excess heat, incompatible materials
    Incompatibility with various Reactive with oxidizing agents, acids.
    substances
    Not available.
    Corrosivity
    Sodium Acetylacetonate Monohydrate
    Hygroscopic; keep container tightly closed.
    Special Remarks on
    Reactivity
    Not available.
    Special Remarks on
    Corrosivity
    Will not occur.
    Polymerization

Section 11. Toxicological Information
    Inhalation. Ingestion.
    Routes of Entry
    Toxicity to Animals        LD50: Not available.    
    LC50: Not available.
    Chronic Effects on Humans Not available.
    Slightly hazardous in case of skin contact (irritant), of ingestion, of inhalation.
    Other Toxic Effects on
    Humans
    Not available.
    Special Remarks on
    Toxicity to Animals
    Not available.
    Special Remarks on
    Chronic Effects on Humans
    Acute Potential Health Effects:
    Special Remarks on other
    Skin: May cause skin irritation.
    Toxic Effects on Humans
    Eyes: May cause eye irritation.
    Inhalation: May cause respiratory tract irritation.
    Ingestion: Expected to be a low hazard.

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

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

Section 14. Transport Information
    Not a DOT controlled material (United States).
    DO T Cl assi fi cati on
    Not applicable.
    Identification
    Not applicable.
    Special Provisions for
    Transport
    Sodium Acetylacetonate Monohydrate
    DO T (Pi ctograms)

Section 15. Other Regulatory Information and Pictograms
    No products were found.
    Federal and State
    Regulations
    California prop. 65: This product contains the following ingredients for which the State of California has found to
    California
    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.
    EINECS: This product is not on the European Inventory of Existing Commercial Chemical Substances.
    Other Regulations
    Canada: Not listed on Canadian Domestic Substance List (DSL) or Canadian Non- Domestic Substance List (NDSL).
    China: Not listed on National Inventory.
    Japan: Not listed on National Inventory (ENCS).
    Korea: Not listed on National Inventory (KECI).
    Philippines: Not listed on National Inventory (PICCS).
    Australia: Not listed on AICS.
    WHMIS (Canada) Not controlled under WHMIS (Canada).
    Other Classifications
    DSCL (EEC)        This product is not classified according Not applicable.    
    to the EU regulations.
    Health Hazard
    HMIS (U.S.A.)        1 National Fire Protection    
    1 Flammability
    1 Association (U.S.A.)
    Fire Hazard
    1 0 Reactivity
    Health
    Reactivity
    0
    Specific hazard
    Personal Protection
    E
    WHMIS (Canada)
    (Pictograms)
    DSCL (Europe)
    (Pictograms)
    TDG(Canada)
    (Pictograms)
    ADR (Europe)
    (Pictograms)
    Protective Equipment
    Gloves.
    Sodium Acetylacetonate Monohydrate
    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↓

计算化学数据


1、  疏水参数计算参考值(XlogP):1.4

2、  氢键供体数量:1

3、  氢键受体数量:4

4、  可旋转化学键数量:3

5、  互变异构体数量:4

6、  拓扑分子极性表面积(TPSA):63.1

7、  重原子数量:16

8、  表面电荷:0

9、  复杂度:257

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

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