Record Information
Version1.0
Creation date2010-04-08 22:15:06 UTC
Update date2018-05-29 01:47:08 UTC
Primary IDFDB020550
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameSodium citrate
DescriptionIt 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.
CAS Number68-04-2
Structure
Thumb
Synonyms
SynonymSource
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trisodium saltbiospider
2-Hydroxy-1,2,3-propanetricarboxylic acid, trisodium saltbiospider
Citnatinbiospider
Citremebiospider
Citric acid trisodium saltbiospider
Citrosodinedb_source
E331db_source
FEMA 3026db_source
Natrocitralbiospider
Sodium citratedb_source
Trisodium citratedb_source
Trisodium citrate hydratebiospider
Predicted Properties
PropertyValueSource
logP-1.3ChemAxon
pKa (Strongest Acidic)3.05ChemAxon
pKa (Strongest Basic)-4.2ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area132.13 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity35.62 m³·mol⁻¹ChemAxon
Polarizability15.5 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaC6H8Na3O7
IUPAC nametrisodium 2-hydroxypropane-1,2,3-tricarboxylic acid
InChI IdentifierInChI=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
InChI KeyHRXKRNGNAMMEHJ-UHFFFAOYSA-N
Isomeric SMILES[Na+].[Na+].[Na+].OC(=O)CC(O)(CC(O)=O)C(O)=O
Average Molecular Weight261.0928
Monoisotopic Molecular Weight260.996311635
Classification
DescriptionThis compound belongs to the class of chemical entities known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
KingdomChemical entities
Super ClassOrganic compounds
ClassOrganic acids and derivatives
Sub ClassCarboxylic acids and derivatives
Direct ParentTricarboxylic acids and derivatives
Alternative Parents
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
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointMp 300°DFC
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
SpectraNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID6224
Pubchem Substance IDNot Available
ChEBI ID53258
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDHJD14-D:MTQ48-Y
EAFUS ID3772
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDrw1303101
SuperScent IDNot Available
Wikipedia IDTrisodium_citrate
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
odorless
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference