| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:04:53 UTC |
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| Update date | 2025-11-18 22:29:15 UTC |
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| Primary ID | FDB001226 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | Sodium ascorbate |
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| Description | sodium 5-(1,2-dihydroxyethyl)-3,4-dihydroxy-2,5-dihydrofuran-2-one belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom. Based on a literature review very few articles have been published on sodium 5-(1,2-dihydroxyethyl)-3,4-dihydroxy-2,5-dihydrofuran-2-one. |
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| CAS Number | 134-03-2 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| Sodium ascorbic acid | Generator | | E301 | db_source | | L-ascorbate, sodium | biospider | | L-ascorbic acid, sodium salt | biospider | | Monosodium ascorbate | biospider | | Sodascorbate | biospider | | Sodium ascorbate, INN | db_source |
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| Predicted Properties | |
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| Chemical Formula | C6H8NaO6 |
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| IUPAC name | sodium 5-(1,2-dihydroxyethyl)-3,4-dihydroxy-2,5-dihydrofuran-2-one |
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| InChI Identifier | InChI=1S/C6H8O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;/q;+1 |
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| InChI Key | PPASLZSBLFJQEF-UHFFFAOYSA-N |
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| Isomeric SMILES | [Na+].OCC(O)C1OC(=O)C(O)=C1O |
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| Average Molecular Weight | 199.1139 |
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| Monoisotopic Molecular Weight | 199.021857663 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Dihydrofurans |
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| Sub Class | Furanones |
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| Direct Parent | Butenolides |
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| Alternative Parents | |
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| Substituents | - 2-furanone
- Vinylogous acid
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- 1,2-diol
- Carboxylic acid ester
- Enediol
- Secondary alcohol
- Lactone
- Carboxylic acid derivative
- Oxacycle
- Organic alkali metal salt
- Monocarboxylic acid or derivatives
- Organic oxygen compound
- Alcohol
- Organooxygen compound
- Primary alcohol
- Organic salt
- Hydrocarbon derivative
- Carbonyl group
- Organic oxide
- Organic cation
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic 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 |
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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 36.38%; H 3.56%; Na 11.60%; O 48.46% | DFC |
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| Melting Point | Not Available | |
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| Boiling Point | Not Available | |
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| Experimental Water Solubility | 620 mg/mL at 25 oC | MERCK INDEX (1996) |
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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 | [a]D +24 (c, 3 in H2O) | DFC |
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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, Positive | splash10-0kaj-3900000000-dd79687008720a47b97a | 2019-02-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-01qc-6900000000-e41425caebbe53797fd3 | 2019-02-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-9000000000-e83a264a44442e33a4b9 | 2019-02-22 | View Spectrum |
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| NMR | Not Available |
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| External Links |
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| ChemSpider ID | 16129288 |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | Not Available |
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| Pubchem Compound ID | 23424000 |
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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 | BWR05-S:BWR11-R |
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| EAFUS ID | 3412 |
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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 | rw1253391 |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Sodium_ascorbate |
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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.
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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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