苯甲酸钙

苯甲酸钙 基本信息
CAS号 2090-05-3 分子式 C14H10CaO4
分子量 282.30500 精确质量 　282.02000
PSA 　52.60000 LogP 　2.61540
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目录
基本信息 制备方法与用途 物化性质 安全信息 化学图谱 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
2090-05-3
3D弹球模型：
立即前往扯扯看
分子式：
C14H10CaO4
分子量：
282.30500
中文名称：
苯甲酸钙
英文名称：
calcium,dibenzoate
中文别名：
苯甲酸钙;
苯甲酸钙水和物;
1-(1,3-benzodioxol-5-yl)-N-hydroxymethanimine;
1,3-benzodioxole-5-carbaldehyde oxime;
Piperonaldoxime;
BRN 2207081;
Methyl p-tolyl ketone oxime;
p-Methylacetophenone oxime;
Ethanone, 1-(4-methylphenyl)-, oxime (9CI);
(1Z)-1-(4-methylphenyl)ethanone oxime;
(1E)-1-(4-methylphenyl)ethanone oxime;
Thiophene-2-acetonitrile;
2-bromo-2-methylpropanoate;
α-Bromoisobutyric acid;
4-Chloro-A-(1-Methylethyl) Benzene Acetonitrile;
2,4-DDimethylamine;
2,4-ddimethylaminesalt[qr];
2,4-ddma;
(2,4-dichlorophenoxy)acetic acid - N-methylmethanamine (1:1);
dimethylammonium 2,4-dichlorophenoxyacetate;
pyrimidinyl)-, monosodium salt;
sulfadimidine sodium(sm2-na)(ndc:56631-0901);
sodiumsulphamethazine;
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;
sodium [(4-aminophenyl)sulfonyl](4,6-dimethylpyrimidin-2-yl)azanide;
4-Amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide;
Sulfamethazine Sodium
英文别名：
calcium,dibenzoate;
Benzoic acid,calcium salt;
Calciumbenzoat;
Calcium dibenzoate;
calcium-benzoate;
UNII-3QDE968MKD;
E213;
calcium(2+) dibenzoate
精确分子量/精确质量：
282.02000
极性分子表面积/PSA：
52.60000
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：
MFCD00167164
EINECS：
218-235-4
InChI：
InChI=1/2C7H6O2.Ca/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2

生产制备方法及用途展开↓

用途

用于汽水、果汁、酱油、醋等。

物化性质展开↓

沸点：
249.3ºC at 760 mmHg
闪点：
111.4ºC
蒸汽压：
0.0122mmHg at 25°C
存储条件/存储方法：
库房低温通风干燥,防明火,火花,高温
稳定性相关：

避免与氧化物，危险分解产品为一氧化碳和二氧化碳，氧化氮 ，氧化钙。

其它信息：

1.      性状：白色透明状粉末

2.      密度（g/mL,25/4 ºC）：未确定

3.      相对蒸汽密度（g/mL,空气=1）：未确定

4.      熔点（ºC）：未确定

5.      沸点（ºC,常压）;未确定

6.      沸点（ºC, 14mm Hg ）：未确定

7.      折射率：未确定

8.      闪点（ºF）: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,0ºC）：未确定

12.   饱和蒸气压（kPa,20ºC）：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：溶于水，微溶于酒精、丙酮。

安全信息展开↓

包装等级：
III
风险类别：
8
海关代码：
2916310090
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R34:Causes burns. R21/22:Harmful in contact with skin and if swallowed .
安全说明：
S26-S36/37/39-S45
危险标志：
C

化学图谱

  1. 苯甲酸钙红外图谱(IR1)

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毒理性展开↓

生态数据：

对水是稍微有害的，不要让未稀释或大量的产品接触地下水，水道或者污水系统，若无政府许可，勿将材料排入周围环境

MSDS 展开↓

Section 1. Chemical Product and Company Identification
    Calcium Benzoate
    Common Name/
    Trade Name
    Manufacturer
    Commercial Name(s)
    Synonym
    Chemical Name
    Chemical Family
    Calcium Benzoate
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 if irritation occurs.
    Skin Contact        Wash with soap and water. Cover the irritated skin with an emollient. Get medical attention if irritation develops.    
    Cold water may be used.
    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.
    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.    
    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
    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. Material in powder form, capable of    
    Fire Hazards        creating a dust explosion.    
    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.
    Calcium Benzoate
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.
    Storage        Keep container tightly closed. Keep container in a cool, well-ventilated area.    
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
    Safety glasses. 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        Benzoic acid (Slight.)    
    Taste        Not available.    
    Molecular Weight        282.3 g/mole    
    Color        White.    
    pH (1% soln/water)        Not available.    
    Boiling Point        Not available.    
    Melting Point        Not available.    
    Critical Temperature        Not available.    
    Density: 1.44 (Water = 1)
    Specific Gravity
    Vapor Pressure        Not applicable.    
    Vapor Density        Not available.    
    Volatility        Not available.    
    Odor Threshold        Not available.    
    Not available.
    Water/Oil Dist. Coeff.
    Ionicity (in Water)        Not available.    
    See solubility in water.
    Dispersion Properties
    Solubility        Partially soluble in cold water.    
Section 10. Stability and Reactivity Data
    Stability        The product is stable.    
    Not available.
    Instability Temperature
    Conditions of Instability        Excess heat    
    Incompatibility with various        Not available.    
    substances
    Corrosivity        Not available.    
    Calcium Benzoate
    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        Slightly hazardous in case of skin contact (irritant), of ingestion, of inhalation.    
    Humans
    Special Remarks on        Not available.    
    Toxicity to Animals
    Special Remarks on
    Not available.
    Chronic Effects on Humans
    Special Remarks on other        Not available.    
    Toxic Effects on Humans
Section 12. Ecological Information
    Not available.
    Ecotoxicity
    BOD5 and COD        Not available.    
    Products of Biodegradation        Possibly hazardous short term degradation products are not likely. However, long term degradation products may    
    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.
Section 14. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    Identification        Not applicable.    
    Special Provisions for        Not applicable.    
    Transport
    DOT (Pictograms)
    Calcium Benzoate
Section 15. Other Regulatory Information and Pictograms
    TSCA 8(b) inventory: Calcium Benzoate
    Federal and State
    Regulations
    California
    Proposition 65
    Warnings
    Other Regulations        EINECS: This product is on the European Inventory of Existing Commercial Chemical Substances (EINECS No.    
    218-235-4).
    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: Listed on National Inventory (PICCS).
    Australia: Listed on AICS.
    Other Classifications        WHMIS (Canada) Not controlled under WHMIS (Canada).    
    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.
    Lab coat.
    Dust respirator. Be sure to use an
    approved/certified respirator or
    equivalent.
    Calcium Benzoate

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2916310090

概述：
2916310090 其他苯甲酸及其盐和酯. 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:6.5% 普通关税:30.0%
申报要素：
品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装
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：
2916310090 other benzoic acid and its salts and esters。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。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：282.0205Da

8、标称质量：282Da

9、平均质量：282.3048Da

计算化学数据

1、   疏水参数计算参考值（XlogP）：

2、   氢键供体数量：0

3、   氢键受体数量：4

4、   可旋转化学键数量：0

5、   互变异构体数量：

6、   拓扑分子极性表面积（TPSA）：80.3

7、   重原子数量：19

8、   表面电荷：0

9、   复杂度：98

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：3

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