ContaminantDB: Sodium laureth sulfate

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References Targets (3)XML

Record Information

Version

1.0

Creation Date

2009-11-28 02:36:32 UTC

Update Date

2026-04-17 19:36:49 UTC

Accession Number

CHEM002603

Identification

Common Name

Sodium laureth sulfate

Class

Small Molecule

Description

Sodium laureth sulfate is a detergent and surfactant found in many personal care products (soaps, shampoos, toothpaste etc.). It is an inexpensive and very effective foaming agent made by mixing sulfuric acid, monododecyl ester, and sodium salt. Sodium laureth sulfate may cause eye or skin irritation. (7)

Contaminant Sources

HPV EPA Chemicals
T3DB toxins

Contaminant Type

Cosmetic Toxin
Ester
Ether
Household Toxin
Lachrymator
Organic Compound
Synthetic Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Sodium laureth sulfuric acid	Generator
Sodium laureth sulphate	Generator
Sodium laureth sulphuric acid	Generator

Chemical Formula

C₁₄H₂₉NaO₅S

Average Molecular Mass

332.432 g/mol

Monoisotopic Mass

332.163 g/mol

CAS Registry Number

9004-82-4

IUPAC Name

sodium 2-(dodecyloxy)ethyl sulfate

Traditional Name

sodium 2-(dodecyloxy)ethyl sulfate

SMILES

[Na+].CCCCCCCCCCCCOCCOS([O-])(=O)=O

InChI Identifier

InChI=1S/C14H30O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17;/h2-14H2,1H3,(H,15,16,17);/q;+1/p-1

InChI Key

ASEFUFIKYOCPIJ-UHFFFAOYSA-M

Chemical Taxonomy

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).

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Organic sulfuric acids and derivatives

Sub Class

Sulfuric acid esters

Direct Parent

Sulfuric acid monoesters

Alternative Parents

Substituents

Alkyl sulfate
Sulfate-ester
Sulfuric acid monoester
Organic alkali metal salt
Ether
Dialkyl ether
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organic sodium salt
Organic salt
Organooxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Exogenous

Cellular Locations

Membrane

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Solid

Appearance

White powder.

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	0.187 mg/mL at 25°C

Predicted Properties

Property	Value	Source
Water Solubility	0.0076 g/L	ALOGPS
logP	4.04	ALOGPS
logP	4.37	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	-1.7	ChemAxon
pKa (Strongest Basic)	-4.1	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	75.66 Å²	ChemAxon
Rotatable Bond Count	15	ChemAxon
Refractivity	78.86 m³·mol⁻¹	ChemAxon
Polarizability	36.56 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001j-6936000000-449907010ea90ea7115d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0002-9810000000-154cf486ff8fa68c0d45	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-00kb-8910000000-01ed8b46b3b1cc4a2701	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-0309000000-d0dfa979e5680f770182	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-5923000000-ca79024f8d00cdaf579b	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001i-9400000000-d84fd0d37a5caece94c9	Spectrum

Toxicity Profile

Route of Exposure

Oral (3) ; inhalation (3) ; dermal (5)

Mechanism of Toxicity

While sodium laureth sulfate itself is not toxic, it is a nitrosating agent. Nitrosating agents may decompose and/or react to cause nitrosamine contamination. Nitrosamines are produced from secondary amines and amides in the presence of nitrite ions and are believed to be carcinogenic. Once in the body, nitrosamines are activated by cytochrome P-450 enzymes. They are then believed to induce their carcinogenic effects by forming DNA adducts at the N- and O-atoms. Sodium laureth sulfate may also be contaminated with low levels of 1,4-dioxane, another believed carcinogen. (5, 6, 1, 2, 3, 7)

Metabolism

Nitrosamines can enter the body via ingestion, inhalation, or dermal contact. Once in the body, nitrosamines are metabolized by cytochrome P-450 enzymes, which essentially activates them into carcinogens. (1, 2)

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not listed by IARC. Certain nitrosamines are classified by IARC as either probably or possibly carcinogenic to humans (Groups 2A and 2B, respectively). (4)

Uses/Sources

Sodium laureth sulfate is a detergent and surfactant found in many personal care products (soaps, shampoos, toothpaste etc.). (7)

Minimum Risk Level

Not Available

Health Effects

Sodium laureth sulfate may cause skin and eye irritation, as well as increase the frequency of canker sores when used in toothpaste. It may also react to produce nitrosamines or contain low levels of 1,4-dioxane, both of which are believed to be carcinogenic. (6, 7)

Symptoms

Sodium laureth sulfate may cause skin and eye irritation, as well as increase the frequency of canker sores when used in toothpaste. (7)

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

Not Available

HMDB ID

Not Available

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Sodium laureth sulfate

Chemspider ID

Not Available

ChEBI ID

Not Available

PubChem Compound ID

24760

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

Sodium laureth sulfate (CHEM002603)

Structure for CHEM002603: Sodium laureth sulfate