칼슘 벤조산
칼슘벤조산 · 칼슘벤조산(CALCIUMBENZOATE) · 칼슘벤조에이트 · CALCIUM BENZOATE · Calciumdibenzoat · calcium dibenzoate · Benzoic acid calcium · Benzoicacid,calciumsalt
식별자 및 물리적 특성
| CAS No. | 2090-05-3 |
|---|---|
| 분자식 | C14H10CaO4 |
| 평균 분자량 | 282.3 g/mol |
| 단동위원소 질량 | 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 |
| 현지명 | 칼슘 벤조산 |
화학 및 물리적 성질
| 극성 표면적 | 80.3 |
|---|---|
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 19 |
| 형식 전하 | 0 |
| 복잡도 | 98 |
| 화장품 | Cosmetic ingredients (Calcium Benzoate) -> CIR (Cosmetic Ingredient Review)Preservative |
| 식품 첨가물 | ANTIMICROBIAL AGENT -> FDA Substance added to food |
| 녹는점 | 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 |
| 끓는 점 | 249.2℃[at 101 325 Pa] |
| 밀도 | 1.42[at 20℃] |
| 증기압 | 0.093Pa at 25℃ |
| 용해도 | 물에 용해됩니다(0°C에서 2.6g/100ml). |
| 화장품 원료 기능 | 항균 방부제 |
| LogP(분배 계수) | 1.87 |
| EPA | Calcium benzoate (2090-05-3) |
화학적 성질
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.
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | 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. |
| 기타 안전 정보 | IMAP assessments - Benzoic acid, calcium salt: Environment tier I assessment |
| Hazard Classes and Categories | Eye Irrit. 2 (83.3%) |
| 독성 요약 | 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 등재 상태 | TSCA listed |
| 기존화학 물질 | KE-02703 |
용도
개요
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.
용도
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.
제조 및 합성 방법
제조 방법
Calcium benzoate is prepared by reacting benzoic acid and calcium bicarbonate.