Back to Compounds

Showing Compound Sodium lauryl sulfate (FDB020359)

Record Information
Version1.0
Creation date2010-04-08 22:14:58 UTC
Update date2018-05-29 01:46:15 UTC
Primary IDFDB020359
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameSodium lauryl sulfate
DescriptionIt is used in foods as an emulsifier, whipping agent, surfactant and wetting agent SLS has not been proven to be carcinogenic when either applied directly to skin or consumed. SLS however is a strong surfactant and a number of health concerns have been raised in published reports.; SLS is a highly effective surfactant used in any task requiring the removal of oily stains and residues. As such the compound is found in high concentrations in industrial products including engine degreasers, floor cleaners, and car wash soaps. In household products, SLS is used in lower concentrations with toothpastes, shampoos, and shaving foams. It is an important component in bubble bath formulations for its thickening effect and its ability to create a lather.; Sodium dodecyl sulfate (SDS), also known as sodium lauryl sulfate (SLS), is an ionic surfactant that is used in household products such as toothpastes, shampoos, shaving foams and bubble baths for its thickening effect and its ability to create a lather. The molecule has a tail of 12 carbon atoms, attached to a sulfate group, giving it amphiphilic properties required of a detergent. It is prepared by sulfation of 1-dodecanol (lauryl alcohol, CH3(CH2)10CH2OH) followed by neutralization with sodium carbonate. Like all detergent surfactants (including soaps), it removes oils from the skin, and can cause skin irritation. It is also irritating to the eyes.; Sodium lauryl sulfate (SLS), sodium laurilsulfate or sodium dodecyl sulfate (SDS or NaDS) (C12H25SO4Na) is an anionic surfactant used in many cleaning and hygiene products. The molecule has a tail of 12 carbon atoms, attached to a sulfate group, giving the molecule the amphiphilic properties required of a detergent.
CAS Number151-21-3
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
Predicted Properties
PropertyValueSource
logP4.42ChemAxon
pKa (Strongest Acidic)-1.5ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area63.6 ŲChemAxon
Rotatable Bond Count12ChemAxon
Refractivity68.93 m³·mol⁻¹ChemAxon
Polarizability31.49 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC12H26NaO4S
IUPAC namesodium (dodecyloxy)sulfonic acid
InChI IdentifierInChI=1S/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1
InChI KeyDBMJMQXJHONAFJ-UHFFFAOYSA-N
Isomeric SMILES[Na+].CCCCCCCCCCCCOS(O)(=O)=O
Average Molecular Weight289.387
Monoisotopic Molecular Weight289.144949685
Classification
Description Belongs to the class of organic compounds known as sulfuric acid monoesters. These are organic compounds containing the sulfuric acid monoester functional group, with the generic structure ROS(O)(=O)=O, (R=organyl group).
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic sulfuric acids and derivatives
Sub ClassSulfuric acid esters
Direct ParentSulfuric acid monoesters
Alternative Parents
Substituents
  • Alkyl sulfate
  • Sulfate-ester
  • Sulfuric acid monoester
  • Organic alkali metal salt
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic salt
  • Organooxygen compound
  • Organic cation
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
OntologyNo ontology term
Physico-Chemical Properties
Physico-Chemical Properties - Experimental
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-00kr-0940000000-8f276cd7e4dcb4c00cc12019-02-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014l-2900000000-950fd40995ae9bb1a3a22019-02-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-052f-9800000000-ce3ea40a2083f47d9eff2019-02-23View Spectrum
NMRNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDC11166
Pubchem Compound ID9028
Pubchem Substance IDNot Available
ChEBI ID8984
Phenol-Explorer IDNot Available
DrugBank IDDB00815
HMDB IDHMDB05004
CRC / DFC (Dictionary of Food Compounds) IDCPZ50-E:MQB58-J
EAFUS ID3449
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDrw1000091
SuperScent IDNot Available
Wikipedia IDSodium lauryl sulfate
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
No data available in table
Showing 0 to 0 of 0 entries
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference