ビス(安息香酸)カルシウム
ビス(安息香酸)カルシウム · 二(安息香酸)カルシウム · 安息香酸カルシウム · 二安息香酸カルシウム · 安息香酸カルシウム三水和物 · CALCIUM BENZOATE · Calciumdibenzoat · calcium dibenzoate
識別子と物理属性
| CAS No. | 2090-05-3 |
|---|---|
| 分子式 | C14H10CaO4 |
| 平均分子量 | 282.3 g/mol |
| 単同位体質量 | 282.0204996 g/mol |
| SMILES | O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Ca+2] |
| InChIKey | NSQPPSOSXWOZNH-UHFFFAOYSA-L |
| PubChem CID | 62425 |
| EC No. | 218-235-4 |
| DTXSID | DTXSID4044612 |
| 現地名 | ビス(安息香酸)カルシウム |
化学・物理的性質
| 極性表面積 | 80.3 |
|---|---|
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 0 |
| 重原子数 | 19 |
| 形式電荷 | 0 |
| 複雑度 | 98 |
| 化粧品 | Cosmetic ingredients (Calcium Benzoate) -> CIR (Cosmetic Ingredient Review)Preservative |
| 食品添加物 | ANTIMICROBIAL AGENT -> FDA Substance added to food |
| 融点 | for benzoic acidMelting range of benzoic acid isolated by acidification and not recrystallised 121,5 °C to 123,5 °C, after vacuum drying in a sulphuric acid desiccator |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | White or colourless crystals, or white powder |
| 沸点 | 249.2℃[at 101 325 Pa] |
| 密度 | 1.42[at 20℃] |
| 蒸気圧 | 0.093Pa at 25℃ |
| 溶解度 | 水に可溶（0℃で2.6g/100ml）。 |
| 化粧品成分の機能 | 防腐剤 |
| LogP（分配係数） | 1.87 |
| CAS データベース | 2090-05-3(CAS DataBase Reference) |
| EPAの化学物質情報 | Calcium benzoate (2090-05-3) |
化学的特性
White or colorless orthorhombic crystals or a white powder. It has slight solubility in water and high solubility in hot water. The compound is highly stable at room temperature.
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 16.7% (11 of 66) of reports.WarningH319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 66 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| 規制情報 | Chemical: Benzoic acid, calcium saltRegulation (EC) No 257/2010REACH registered substance: Calcium dibenzoate (EC: 218-235-4)Calcium benzoate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| その他の安全情報 | IMAP assessments - Benzoic acid, calcium salt: Environment tier I assessment |
| Hazard Classes and Categories | Eye Irrit. 2 (83.3%) |
| 毒性の概要 | Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org |
| TSCA 収載状態 | TSCA listed |
用途
説明
Calcium benzoate refers to the calcium salt of benzoic acid. When used in the food industry as a preservative, its E number is E213 (INS number 213); it is approved for use as a food additive in the EU, USA and Australia and New Zealand. The formulas and structures of calcium carboxylate derivatives of calcium and related metals are complex. Generally the coordination number is eight and the carboxylates form Ca-O bonds. Another variable is the degree of hydration.
使用
Calcium benzoate hydrate is used in used in the food industry as a preservative. It is also utilized as a preservative and growth promoter in the feed industry.
製法・合成法
製造方法
Calcium benzoate is prepared by reacting benzoic acid and calcium bicarbonate.
純化方法
Calcium benzoate (3H2O) [2090-05-3] M 336.4. Recrystallise it from water (10m/g) between 90o and 0o. [Beilstein 9 I 60, 9 H 85, 9 III 377, 9 IV 280.]