Calciumdibenzoat
CALCIUM BENZOATE · Calciumdibenzoat · calcium dibenzoate · Benzoic acid calcium · Benzoicacid,calciumsalt · CALCIUM BENZOATE REAGENT · Dibenzoic acid calcium salt · Di(benzoic acid)calcium salt
Identifikatoren & physikalische Daten
| CAS No. | 2090-05-3 |
|---|---|
| Summenformel | C14H10CaO4 |
| Durchschnittliche Molmasse | 282,3 g/mol |
| Monoisotopische Masse | 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 |
| Lokaler Name | Calciumdibenzoat |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 80,3 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 98 |
| Kosmetika | Cosmetic ingredients (Calcium Benzoate) -> CIR (Cosmetic Ingredient Review)Preservative |
| Lebensmittelzusatzstoffe | ANTIMICROBIAL AGENT -> FDA Substance added to food |
| Schmelzpunkt | 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 |
| Siedepunkt | 249.2℃[at 101 325 Pa] |
| Dichte | 1.42[at 20℃] |
| Dampfdruck | 0.093Pa at 25℃ |
| Löslichkeit | Soluble in water (2.6 g/100ml at 0°C). |
| Kosmetik-Inhaltsstoffe Funktionen | PRESERVATIVE |
| LogP (Verteilungskoeffizient) | 1.87 |
| CAS Datenbank | 2090-05-3(CAS DataBase Reference) |
| EPA chemische Informationen | Calcium benzoate (2090-05-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | 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. |
|---|---|
| Regulatorische Informationen | 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. |
| Weitere Sicherheitsinformationen | IMAP assessments - Benzoic acid, calcium salt: Environment tier I assessment |
| Hazard Classes and Categories | Eye Irrit. 2 (83.3%) |
| Toxizitätsübersicht | 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-Inventar-Status | TSCA listed |
Anwendungen & Verwendung
Beschreibung
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.
Verwenden
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.
Herstellung & Synthese
synthetische
Calcium benzoate is prepared by reacting benzoic acid and calcium bicarbonate.