Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:14:38 UTC |
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Update date | 2015-07-21 06:39:25 UTC |
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Primary ID | FDB019869 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Sodium benzoate |
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Description | Antimicrobial preservative in foods, e.g. margarine and artificially sweetened fruit preserves. Flavouring agent and adjuvant
Sodium benzoate is a preservative. It is bacteriostatic and fungistatic under acidic conditions. It is used most prevalently in acidic foods such as salad dressings (vinegar), carbonated drinks (carbonic acid), jams and fruit juices (citric acid), pickles (vinegar), and condiments. It is also found in alcohol-based mouthwash and silver polish[citation needed]. It can also be found in cough syrups like Robitussin. Sodium benzoate is declared on a product label as 'sodium benzoate' or E211. |
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CAS Number | 532-32-1 |
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Structure | |
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Synonyms | Synonym | Source |
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Benzoic acid, sodium salt | ChEBI | e211 | ChEBI | Benzoate, sodium salt | Generator | Sodium benzoic acid | Generator | Benzoate, sodium | MeSH | Antimol | biospider | Benzoate sodium | biospider | Benzoic acid sodium salt | biospider | Benzoic acid, sodium salt (1:1) | biospider | Carboxybenzene sodium salt | biospider | E211 | db_source | FEMA 3025 | db_source | Sobenate | biospider | Sodium benzoate | db_source | Sodium benzoate (JP15/NF) | biospider | Sodium benzoate (TN) | biospider | Sodium benzoate [usan:jan] | biospider | Ucephan | biospider |
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Predicted Properties | |
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Chemical Formula | C7H5NaO2 |
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IUPAC name | sodium benzoate |
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InChI Identifier | InChI=1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1 |
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InChI Key | WXMKPNITSTVMEF-UHFFFAOYSA-M |
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Isomeric SMILES | [Na+].[O-]C(=O)C1=CC=CC=C1 |
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Average Molecular Weight | 144.1032 |
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Monoisotopic Molecular Weight | 144.018724079 |
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Classification |
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Description | 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. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Benzene and substituted derivatives |
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Sub Class | Benzoic acids and derivatives |
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Direct Parent | Benzoic acids |
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Alternative Parents | |
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Substituents | - Benzoic acid
- Benzoyl
- Carboxylic acid salt
- Organic alkali metal salt
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organic sodium salt
- Organic salt
- Organooxygen compound
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Ontology | No ontology term |
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Physico-Chemical Properties - Experimental |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Not Available | |
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Physical Description | Not Available | |
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Mass Composition | C 58.34%; H 3.50%; Na 15.95%; O 22.21% | DFC |
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Melting Point | >300 oC | |
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Boiling Point | Not Available | |
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Experimental Water Solubility | 556 mg/mL at 25 oC | BUDAVARI,S et al. (1989) |
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Experimental logP | Not Available | |
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Experimental pKa | Not Available | |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | Not Available | |
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Spectroscopic UV Data | Not Available | |
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Density | Not Available | |
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Refractive Index | Not Available | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Not Available |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-0900000000-624a6d93d084037dbdab | 2019-02-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-0900000000-4f00a4c570cc1bf9fe5c | 2019-02-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-6900000000-417b98beba21fd729318 | 2019-02-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-0900000000-1fcdc8d07f904bd78cea | 2019-02-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0k92-0900000000-6543f3b975082d6ffd4c | 2019-02-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-114i-9500000000-2487b974c7573f5afd48 | 2019-02-22 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | Not Available |
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ChEMBL ID | Not Available |
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KEGG Compound ID | C13403 |
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Pubchem Compound ID | 517055 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | Not Available |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | Not Available |
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CRC / DFC (Dictionary of Food Compounds) ID | GOG67-I:MDQ71-S |
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EAFUS ID | 3413 |
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Dr. Duke ID | Not Available |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | rw1034681 |
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SuperScent ID | Not Available |
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Wikipedia ID | Sodium_benzoate |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Food | Content Range | Average | Reference |
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Food | | | Reference |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | Not Available |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Flavor | Citations |
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odorless |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| bitter |
- Ayana Wiener, Marina Shudler, Anat Levit, Masha Y. Niv. BitterDB: a database of bitter compounds. Nucleic Acids Res 2012, 40(Database issue):D413-419. DOI:10.1093/nar/gkr755
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | |
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