Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:14:25 UTC |
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Update date | 2015-07-21 06:36:47 UTC |
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Primary ID | FDB019541 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Sodium alginate |
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Description | Stabiliser, emulsifier, thickener, formulation aid [DFC]
The chemical compound sodium alginate is the sodium salt of alginic acid. Sodium alginate is a gum, extracted from the cell walls of brown algae. As a flavorless gum, it is used by the foods industry to increase viscosity and as an emulsifier. As a food additive, sodium alginate is used especially in the production of gel-like foods. For example, bakers' "Chellies" are often gelled alginate "jam." [Wikipedia] |
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CAS Number | 9005-38-3 |
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Structure | |
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Synonyms | Synonym | Source |
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Sodium 3,4,5,6-tetrahydroxyoxane-2-carboxylic acid | Generator | Sodium alginic acid | Generator | Algin | db_source | E401 | db_source | Sodium alginate | db_source |
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Predicted Properties | |
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Chemical Formula | C6H9NaO7 |
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IUPAC name | sodium 3,4,5,6-tetrahydroxyoxane-2-carboxylate |
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InChI Identifier | InChI=1S/C6H10O7.Na/c7-1-2(8)4(5(10)11)13-6(12)3(1)9;/h1-4,6-9,12H,(H,10,11);/q;+1/p-1 |
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InChI Key | MSXHSNHNTORCAW-UHFFFAOYSA-M |
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Isomeric SMILES | [Na+].OC1OC(C(O)C(O)C1O)C([O-])=O |
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Average Molecular Weight | 216.1212 |
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Monoisotopic Molecular Weight | 216.024597317 |
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Classification |
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Description | Belongs to the class of organic compounds known as glucuronic acid derivatives. Glucuronic acid derivatives are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Carbohydrates and carbohydrate conjugates |
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Direct Parent | Glucuronic acid derivatives |
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Alternative Parents | |
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Substituents | - Glucuronic acid or derivatives
- Beta-hydroxy acid
- Hydroxy acid
- Monosaccharide
- Oxane
- Pyran
- Carboxylic acid salt
- Hemiacetal
- Secondary alcohol
- Polyol
- Organic alkali metal salt
- Monocarboxylic acid or derivatives
- Oxacycle
- Carboxylic acid
- Carboxylic acid derivative
- Organoheterocyclic compound
- Organic sodium salt
- Hydrocarbon derivative
- Alcohol
- Carbonyl group
- Organic oxide
- Organic salt
- 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 | solid | |
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Physical Description | Pale yellow-brown powder | CCD |
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Mass Composition | Not Available | |
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Melting Point | Not Available | |
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Boiling Point | Not Available | |
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Experimental Water Solubility | Not Available | |
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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 | [neutral] lmax 260 () (H2O) (Berdy) | DFC |
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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 | splash10-004i-0910000000-a8fa5aa99ce00ec36004 | 2019-02-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-056r-2900000000-f6011591fa48d641ae96 | 2019-02-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a59-9800000000-6fe9f505a813b3eadebc | 2019-02-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-016s-1910000000-334cd9698e2d73be87d2 | 2019-02-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-6900000000-fe0ee96ff4530b41a41d | 2019-02-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0536-9300000000-54d91c5ee7aee6ac9895 | 2019-02-23 | 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 | Not Available |
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Pubchem Compound ID | 24884455 |
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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 | BWK37-U:MBX06-X |
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EAFUS ID | 82 |
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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 | rw1004521 |
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SuperScent ID | Not Available |
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Wikipedia ID | Sodium_alginate |
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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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