硬脂酸铵

硬脂酸铵 基本信息
CAS号 1002-89-7 分子式 C18H39NO2
分子量 301.50800 精确质量  301.29800
PSA  40.13000 LogP  5.37400

基本信息 展开↓

CAS号:
1002-89-7
3D弹球模型:
立即前往扯扯看
分子式:
C18H39NO2
分子量:
301.50800
中文名称:
硬脂酸铵
英文名称:
azanium,octadecanoate
中文别名:
硬脂酸铵;
十八酸铵
英文别名:
azanium,octadecanoate;
Octadecanoic acid,ammonium salt (1:1);
Stearinsaeure,Ammoniumstearat;
Stearinsaeure,Ammonium-Verbindung;
stearic acid amine;
ammonium stearate;
stearic acid,ammonium stearate;
stearic acid ammonium salt
精确分子量/精确质量:
301.29800
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。
EINECS:
213-695-2
InChI:
InChI=1/C18H36O2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);1H3

生产制备方法及用途展开↓

制备方法


将计算量的硬脂酸溶于乙醇中,使之全溶成清澈的溶液。在上述硬脂酸乙醇溶液中加入过量的浓度为28%~30%的氨水,析出硬脂酸铵后,滤出,在0~5℃下抽真空干燥,直到含水量降到1%以下,即得产品。

合成制备方法


将计算量的硬脂酸溶于乙醇中,使之全溶成清澈的溶液。在上述硬脂酸乙醇溶液中加入过量的浓度为28%~30%的氨水,析出硬脂酸铵后,滤出,在0~5℃下抽真空干燥,直到含水量降到1%以下,即得产品。

用途简介


化妆品。混凝土、纸张和纺织物的防水剂。应用于化妆品工业。

用途


化妆品。混凝土、纸张和纺织物的防水剂。应用于化妆品工业。

物化性质展开↓

外观与性状:
奶油色或淡黄色粉末
沸点:
359.4ºC at 760 mmHg
闪点:
162.4ºC
蒸汽压:
8.58E-06mmHg at 25°C
存储条件/存储方法:
库房通风低温干燥
稳定性相关:

溶于水和热的甲苯中。

其它信息:

1.       性状: 黄褐色蜡状固体或黄白色粉末或液体。在1.7~4.4℃时变软,在空气中逐渐失去氨。

2.       密度(g/mL,25/4℃):0.89

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):21~24

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,5.2kPa):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(kPa,25ºC):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(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:27℃时溶于甲醇和乙醇,微溶于水、苯、二甲苯和石油精,不溶于丙酮和四氯化碳。

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
WI2822000
CHEMICAL NAME :
Stearic acid, ammonium salt
CAS REGISTRY NUMBER :
1002-89-7
LAST UPDATED :
199712
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C18-H36-O2.H3-N

MSDS 展开↓


Section 1. Chemical Product and Company Identification
    Ammonium Stearate
    Common Name/
    Trade Name
    Ammonium Stearate

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. Cold water may be used. WARM water MUST be used. 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).
    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
    Not available.
    Special Remarks on
    Fire Hazards
    Not available.
    Special Remarks on
    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.
    Ammonium Stearate

Section 7. Handling and Storage
    Keep away from heat. Keep away from sources of ignition. G round all equipment containing material. Do not
    Precautions
    breathe dust.
    Keep container tightly closed. Keep container in a cool, well-ventilated area.
    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. Gloves (impervious). In well ventilated areas or if used in a fume hood, respiratory    
    protection is not normally required.
    Personal Protection in Case Splash goggles. Full suit. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a specialist
    of a Large Spill        BEFORE handling this product.    
    Not available.
    Exposure Limits

Section 9. Physical and Chemical Properties
    Solid. (Paste)        Not available.    
    Physical state and        O dor    
    appearance
    Not available.
    Taste
    301.52 g/mole
    Molecular Weight
    White to yellowish.
    Color
    Not available.
    pH (1% soln/water)
    Not available.
    Boiling Point
    Not available.
    Melting Point
    Not available.
    Critical Temperature
    1.01 (Water = 1)
    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
    Very slightly soluble in cold water.
    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 Not available.
    substances
    Not available.
    Corrosivity
    Ammonium Stearate
    Not available.
    Special Remarks on
    Reactivity
    Not available.
    Special Remarks on
    Corrosivity
    Will not occur.
    Polymerization

Section 11. Toxicological Information
    Ingestion.
    Routes of Entry
    Toxicity to Animals        LD50: Not available.    
    LC50: Not available.
    Chronic Effects on Humans Not available.
    Other Toxic Effects on        Slightly hazardous in case of skin contact (irritant), of ingestion.    
    Non-hazardous in case of inhalation.
    Humans
    Special Remarks on        Not available.    
    Toxicity to Animals
    Not available.
    Special Remarks on
    Chronic Effects on Humans
    Special Remarks on other        Acute Potential Health Effects:    
    Toxic Effects on Humans        Skin: May cause skin irritation.    
    Eyes: May cause eye irritation.
    Inhalation: Not considered an inhalation hazard since it is in paste form.
    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
    Ammonium Stearate
    DO T (Pi ctograms)

Section 15. Other Regulatory Information and Pictograms
    TSCA 8(b) inventory: Ammonium Stearate
    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.
    Other Regulations        EINECS: This product is on the European Inventory of Existing Commercial Chemical Substances (EINECS No.    
    213-695-2).
    Canada: Listed on Canadian Domestic Substance List (DSL).
    China: Listed on National Inventory.
    Japan: Listed on National Inventory (ENCS).
    Korea: Listed on National Inventory (KECI).
    Philippines: Not listed on National Inventory (PICCS).
    Australia: Listed on AICS.
    WHMIS (Canada) Not controlled under WHMIS (Canada).
    Other Classifications
    This product is not classified according Not applicable.
    DSCL (EEC)
    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
    B
    WHMIS (Canada)
    (Pictograms)
    DSCL (Europe)
    (Pictograms)
    TDG(Canada)
    (Pictograms)
    ADR (Europe)
    (Pictograms)
    Protective Equipment
    Gloves (impervious).
    Ammonium Stearate
    Lab coat.
    Not applicable.


SECTION 16 - ADDITIONAL INFORMATION
N/A

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:301.298079 Da

8、标称质量:301 Da

9、平均质量:301.5078 Da

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:1

3.氢键受体数量:2

4.可旋转化学键数量:15

5.互变异构体数量:无

6.拓扑分子极性表面积41.1

7.重原子数量:21

8.表面电荷:0

9.复杂度:196

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:2

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