SODIUM LAURATE (CHEM007511)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-19 02:26:35 UTC
Update Date2016-11-09 01:09:56 UTC
Accession NumberCHEM007511
Identification
Common NameSODIUM LAURATE
ClassSmall Molecule
DescriptionAn organic sodium salt resulting from the replacement of the proton from the carboxy group of dodecanoic acid by a sodium ion.
Contaminant Sources
  • EAFUS Chemicals
  • FooDB Chemicals
  • HPV EPA Chemicals
  • OECD HPV Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Dodecanoic acid, sodium saltChEBI
Lauric acid, sodium saltChEBI
Sodium laurateChEBI
Dodecanoate, sodium saltGenerator
Laate, sodium saltGenerator
Laic acid, sodium saltGenerator
Sodium lauric acidGenerator
Sodium dodecanoic acidGenerator
Chemical FormulaC12H23NaO2
Average Molecular Mass222.300 g/mol
Monoisotopic Mass222.160 g/mol
CAS Registry Number629-25-4
IUPAC Namesodium dodecanoate
Traditional Namesodium laurate
SMILES[Na+].CCCCCCCCCCCC([O-])=O
InChI IdentifierInChI=1S/C12H24O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);/q;+1/p-1
InChI KeyBTURAGWYSMTVOW-UHFFFAOYSA-M
Chemical Taxonomy
Description belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acids and conjugates
Direct ParentMedium-chain fatty acids
Alternative Parents
Substituents
  • Medium-chain fatty acid
  • 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
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.0043 g/LALOGPS
logP5.27ALOGPS
logP4.48ChemAxon
logS-4.7ALOGPS
pKa (Strongest Acidic)4.95ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area40.13 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity69.52 m³·mol⁻¹ChemAxon
Polarizability25.37 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
SpectraNot Available
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0303651
FooDB IDFDB017356
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkSodium_laurate
Chemspider ID11873
ChEBI ID131839
PubChem Compound ID12379
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=24903603
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=25037371
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=25761664
4. https://www.ncbi.nlm.nih.gov/pubmed/?term=25898084
5. https://www.ncbi.nlm.nih.gov/pubmed/?term=25934290
6. https://www.ncbi.nlm.nih.gov/pubmed/?term=26270828
7. https://www.ncbi.nlm.nih.gov/pubmed/?term=26365517
8. https://www.ncbi.nlm.nih.gov/pubmed/?term=26794738
9. https://www.ncbi.nlm.nih.gov/pubmed/?term=26873826
10. https://www.ncbi.nlm.nih.gov/pubmed/?term=26924290
11. https://www.ncbi.nlm.nih.gov/pubmed/?term=26989345