| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:15:06 UTC |
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| Update date | 2018-05-29 01:47:08 UTC |
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| Primary ID | FDB020550 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | Sodium citrate |
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| Description | It is used in food processing as an emulsifying agent, pH control agent, colour control agent, flavouring agent and modifier. It is used in conjunction with ascorbate or erythorbate derivs. as a cure accelerator in processed meat products
Trisodium citrate, sometimes referred to simply as sodium citrate, possesses a saline, mildly tart flavor. Sodium citrate is chiefly used as a food additive E331, usually for flavor or as a preservative. Sodium citrate is employed as a flavoring agent in certain varieties of club soda. Sodium citrate is common as an ingredient in Bratwurst, lemon-lime and citrus soft drinks, such as Ting, Chinotto, and some Ocean Spray juices, contributing to their tart tastes, and can also be found in such energy drinks as Rockstar and Red Bull. |
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| CAS Number | 68-04-2 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| Trisodium 2-hydroxypropane-1,2,3-tricarboxylate | Generator | | Sodium citric acid | Generator | | 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trisodium salt | biospider | | 2-Hydroxy-1,2,3-propanetricarboxylic acid, trisodium salt | biospider | | Citnatin | biospider | | Citreme | biospider | | Citric acid trisodium salt | biospider | | Citrosodine | db_source | | E331 | db_source | | FEMA 3026 | db_source | | Natrocitral | biospider | | Sodium citrate | db_source | | Trisodium citrate | db_source | | Trisodium citrate hydrate | biospider |
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| Predicted Properties | |
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| Chemical Formula | C6H8Na3O7 |
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| IUPAC name | trisodium 2-hydroxypropane-1,2,3-tricarboxylic acid |
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| InChI Identifier | InChI=1S/C6H8O7.3Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1 |
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| InChI Key | HRXKRNGNAMMEHJ-UHFFFAOYSA-N |
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| Isomeric SMILES | [Na+].[Na+].[Na+].OC(=O)CC(O)(CC(O)=O)C(O)=O |
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| Average Molecular Weight | 261.0928 |
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| Monoisotopic Molecular Weight | 260.996311635 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Carboxylic acids and derivatives |
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| Sub Class | Tricarboxylic acids and derivatives |
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| Direct Parent | Tricarboxylic acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Tricarboxylic acid or derivatives
- Hydroxy acid
- Alpha-hydroxy acid
- Tertiary alcohol
- Organic alkali metal salt
- Carboxylic acid
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organic salt
- Organooxygen compound
- Carbonyl group
- Alcohol
- Organic cation
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic 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 | Not Available | |
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| Melting Point | Mp 300° | DFC |
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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 | 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 | 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 | 6224 |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | 53258 |
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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 | HJD14-D:MTQ48-Y |
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| EAFUS ID | 3772 |
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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 | rw1303101 |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Trisodium_citrate |
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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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