苯甲酸钙 | 2090-05-3

• 物质功能分类: 食品添加剂 - 防腐剂
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 苯甲酸钙
• 中文别名: 苯甲酸钙水和物
• 英文名称: Benzoic acid, calcium salt (2:1)
• CAS: 2090-05-3
• 化学式: C7H6CaO2
• 分子量: 162.2
• InChiKey: XHPUEGFRYMODBR-UHFFFAOYSA-N

物化性质

• 沸点：
  249.2℃[at 101 325 Pa]
• 密度：
  1.42[at 20℃]
• LogP：
  1.87
• 稳定性/保质期：
  避免与氧化物接触，因为它们可能分解出一氧化碳、二氧化碳、氧化氮和氧化钙等危险物质。

计算性质

• 辛醇/水分配系数(LogP)：
  1.0
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• TSCA：
  Yes
• 危险品标志：
  C
• WGK Germany：
  3
• 海关编码：
  2916310090
• 危险类别：
  8
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R21/22,R34
• 包装等级：
  III
• 危险品运输编号：
  UN 3259 8/PG 2

SDS

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Section 1. Chemical Product and Company Identification
Calcium Benzoate
Common Name/
Trade Name
Manufacturer
Commercial Name(s)
Synonym
Chemical Name
Chemical Family
Calcium Benzoate

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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.

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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.

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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

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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.

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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.

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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.

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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.

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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

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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

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

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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

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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

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

苯甲酸钙简介

苯甲酸钙是一种白色或无色正棱形晶体，或是白色的粉末，相对密度为1.44。它微溶于冷水，易溶于热水。在常温下非常稳定。

用途

苯甲酸钙可用作防腐剂和抗微生物成分，在汽水、果汁、酱油、醋等饮料中广泛使用。此外，其离子形式也可应用于饲料工业中，作为防腐剂及生长促进剂。

制备方法

一种低温合成苯甲酸钙的加工过程涉及将工业级苯甲酸（65-85公斤）、氢氧化钙（28-32公斤）和催化剂（三乙醇二硬脂酸脂、乙撑二硬脂酰胺、乙撑双月桂酰胺，1-3公斤），以及适量清水（300-500公斤）加入反应釜中，在60-90℃下加热并搅拌。2至4小时后，添加隔离剂（5-15公斤），继续搅拌半小时，然后进行过滤和干燥处理。

具体实施时，采用苯甲酸75公斤、氢氧化钙30公斤、催化剂2公斤及清水400公斤，在80℃下反应3小时，加入隔离剂12公斤后搅拌半小时，再进行过滤与干燥。此过程通常可达到99.5%的收率。

水中溶解度

苯甲酸钙在不同温度下的水中的溶解度如下（g/100ml）：

• 0℃：2.32克
• 10℃：2.45克
• 20℃：2.72克
• 30℃：3.02克
• 40℃：3.42克
• 60℃：4.71克
• 80℃：6.87克
• 90℃：8.55克
• 100℃：8.7克

鉴别试验

• 溶解性：溶于水。按照OT-42方法测定。
• 苯甲酸盐试验（IT-5）阳性。
• 钙试验（IT-10）阳性。

含量分析

精确称取经过105℃干燥4小时的试样0.6克，溶解于由20毫升水和2毫升稀盐酸组成混合液中，并用水稀释至约100毫升。在磁性搅拌器的帮助下加入0.05摩尔/升EDTA二钠30毫升、15毫升氢氧化钠以及40毫克紫脲酸铵指示剂（或0.25克羟基萘酚蓝替代，不需额外的萘酚绿指示剂）。继续滴定至溶液呈深蓝色。每毫升0.05摩尔/升EDTA二钠相当于苯甲酸钙14.116毫克。

毒性

• ADI：0～5 mg/kg（FAO/WHO，2001年）
• 美国农业部将其列为限用名单（HACSG）

使用限量

• FAO/WHO（1984）：与“07019，苯甲酸钠”相同
• USDA，9CFR，§318.73（2000）：人造奶油中为0.1%，山梨酸及其盐类的合用量为0.2%（以苯甲酸及山梨酸计）

化学性质

苯甲酸钙是一种白色或无色正棱形晶体，或是白色的粉末。它的相对密度是1.44，并且易溶于水。

用途

苯甲酸钙用作防腐剂和抗微生物成分；还用于汽水、果汁、酱油、醋等饮品中。

生产方法

由苯甲酸与碳酸氢钙反应而制得。

类别

• 易燃固体
• 可燃性危险特性：遇热或明火易燃，高温时会发生分解产生辛辣刺激烟雾。

储运特性

储存在低温通风干燥的库房中；避免接触明火、火花及高温环境。

灭火剂

使用水、二氧化碳、泡沫或干粉灭火。

文献信息

• BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
  申请人：SENOMYX, INC.

  公开号：US20160376263A1

  公开（公告）日：2016-12-29

  The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.

  本发明涵盖已知用于改变苦味感知的化合物和组合物，以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种：冷却剂；无活性药物成分；活性药用成分；食品添加剂或食品；调味剂或调味增强剂；食品或饮料产品；苦味化合物；甜味剂；苦味剂；酸味调味剂；咸味调味剂；鲜味调味剂；植物或动物产品；已知用于宠物护理产品中的化合物；已知用于个人护理产品中的化合物；已知用于家用产品中的化合物；制药制剂；局部制剂；大麻衍生或与大麻相关的产品；已知用于口腔护理产品中的化合物；饮料；香味、香水或除臭剂；已知用于消费品中的化合物；硅化合物；磨料；表面活性剂；发热剂；吸烟物品；脂肪、油脂或乳化剂；和/或益生菌或补充剂。
• USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS
  申请人：Subkowski Thomas

  公开号：US20120263659A1

  公开（公告）日：2012-10-18

  The invention relates to a TRPM8 modulator for achieving a cooling effect on the skin or a mucous membrane.

  这项发明涉及一种TRPM8调节剂，用于在皮肤或粘膜上产生降温效果。
• [EN] COMPOSITIONS COMPRISING AN HIV PROTEASE INHIBITOR<br/>[FR] COMPOSITIONS COMPORTANT UN INHIBITEUR DE LA PROTEASE DU VIH
  申请人：PFIZER

  公开号：WO2005056542A1

  公开（公告）日：2005-06-23

  The present invention relates to pharmaceutical compositions comprising amorphous (4R)-N-allyl-3-(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, or a pharmaceutically acceptable salt or solvate thereof, their methods of preparation, their use in inhibiting the HIV protease enzyme, and their use in the manufacture of a medicament for the treatment HIV-infected mammals, such as humans.

  本发明涉及包含非晶态(4R)-N-烯丙基-3-(2S,3S)-2-羟基-3-[(3-羟基-2-甲基苯甲酰)氨基]-4-苯基丁酰}-5,5-二甲基-1,3-噻唑烷-4-羧酰胺，或其药学上可接受的盐或溶剂的制药组合物，其制备方法，其在抑制HIV蛋白酶酶的用途，以及其在制造用于治疗HIV感染哺乳动物，如人类的药物中的用途。
• [EN] TLR7/8 AGONISTS AND LIPOSOME COMPOSITIONS<br/>[FR] AGONISTES DE TLR7/8 ET COMPOSITIONS LIPOSOMALES
  申请人：TORQUE THERAPEUTICS INC

  公开号：WO2020023680A1

  公开（公告）日：2020-01-30

  The present disclosure relates to a method of loading a toll like receptor (TLR)7/8 agonist into a liposome using remote loading and a kit of parts suitable for the loading of a TLR7/8 agonist into a liposome by said method. The present disclosure further relates to a liposome comprising a salt of a TLR7/8 agonist in the liposome interior and to the use of said liposome for stimulation of an immune response and/or treatment of a clinical condition. Finally, the present disclosure relates to a TLR7/8 agonist which is suitable for being remotely loaded into a liposome.

  本公开涉及一种利用远程加载的方法将调节剂（TLR）7/8激动剂装载到脂质体中，以及适用于通过该方法将TLR7/8激动剂装载到脂质体的部件套件。本公开进一步涉及包含TLR7/8激动剂盐的脂质体，并且利用该脂质体用于刺激免疫反应和/或治疗临床疾病。最后，本公开涉及一种适合远程装载到脂质体中的TLR7/8激动剂。
• USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS
  申请人：BASF SE

  公开号：US20200190052A1

  公开（公告）日：2020-06-18

  The invention relates primarily to a method of modulation, preferably of in vitro and/or in vivo modulation, of the cold menthol receptor TRPM8, wherein the receptor is contacted with at least one modulator selected from the group consisting of the compounds of the structure type 1 described herein. The present invention further relates to corresponding uses and compositions comprising such compounds.

  该发明主要涉及一种调制方法，优选是体外和/或体内调制寒冷薄荷醇受体TRPM8的方法，其中受体与本文描述的结构类型1的化合物群中至少一种调制剂接触。本发明还涉及相关用途和包含这些化合物的组合物。