Calcium benzoate hydrate is used in used in the food industry as a preservative.
| Pubchem Sid | 504753843 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504753843 |
| Sonrisas canónicas | C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Ca+2] |
| IUPAC Name | calcium;dibenzoate |
| InChIKey | NSQPPSOSXWOZNH-UHFFFAOYSA-L |
| INCHI | 1S/2C7H6O2.Ca/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2 |
| Isómeros SMILES | C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Ca+2] |
| Peso molecular | 282.32(anhydrous basis) |
| Reaxy-Rn | 5859539 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5859539&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acids |
| Alternative Parents | Benzoyl derivatives Carboxylic acid salts Organic calcium salts Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Not available |
| Substituents | Benzoic acid - Benzoyl - Carboxylic acid salt - Organic calcium salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 B2419751 | Certificate of Analysis | Jan 23, 2024 | C333116 |
| B2419752 | Certificate of Analysis | Jan 23, 2024 | C333116 |
| B2419753 | Certificate of Analysis | Jan 23, 2024 | C333116 |
| B2419754 | Certificate of Analysis | Jan 23, 2024 | C333116 |
| Solubilidad | Soluble in water (2.6 g/100ml at 0°C). |
|---|---|
| Peso molecular | 282.300 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 282.02 Da |
| Monoisotopic Mass | 282.02 Da |
| Topological Polar Surface Area | 80.300 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 98.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 3 |
| 1. Yingqi Heng, Daman Xu, Heng Fang, Chengjin Zhong, Dongying Hu. (2022) Design of a Cellulose-Based Supercapacitor Based on Polymerization-Doping Phase Inversion of a Polydopamine-Modified Separator and a Polypyrrole/Graphene-Doped Membrane Electrode. LANGMUIR, [PMID:35584369] [10.1021/acs.langmuir.2c00131] |
