ContaminantDB: Ammonium lauryl sulfate

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References Targets (2)XML

Record Information

Version

1.0

Creation Date

2009-11-19 02:56:58 UTC

Update Date

2026-04-17 16:06:16 UTC

Accession Number

CHEM002593

Identification

Common Name

Ammonium lauryl sulfate

Class

Small Molecule

Description

Ammonium lauryl sulfate (ALS) is the common name for ammonium dodecyl sulfate. ALS is classified as an alkyl sulfate and is an anionic surfactant found primarily in shampoos and body-wash as a foaming agent. Lauryl sulfates are very high-foam surfactants that disrupt the surface tension of water by forming micelles around the polar water molecules. (7)

Contaminant Sources

HPV EPA Chemicals
OECD HPV Chemicals
T3DB toxins
ToxCast & Tox21 Chemicals

Contaminant Type

Cosmetic Toxin
Ester
Household Toxin
Lachrymator
Organic Compound
Synthetic Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Ammonium lauryl sulfuric acid	Generator
Ammonium lauryl sulphate	Generator
Ammonium lauryl sulphuric acid	Generator
Dodecyl sulfate, zinc salt (2:1)	MeSH
Laurylsulfate	MeSH
Dodecyl sulfate, lead (+2) salt	MeSH
Ammonium lauryl sulfate	MeSH
Lauryl sulfate	MeSH
Magnesium lauryl sulfate	MeSH
Dodecyl sulfate, cesium salt	MeSH
Dodecyl sulfate, strontium salt	MeSH
Lithium lauryl sulfate	MeSH
Dodecyl sulfate, copper (+2) salt	MeSH
Dodecyl sulfate	MeSH
Dodecyl sulfate, lithium salt	MeSH
Dodecyl sulfate, cadmium salt	MeSH
Dodecyl sulfate, thallium (+1) salt	MeSH
Magnesium dodecyl sulfate	MeSH
Dodecyl sulfate, barium salt	MeSH
Dodecyl sulfate, ammonium salt	MeSH
Dodecyl sulfate, magnesium salt	MeSH
Dodecyl sulfate, manganese salt	MeSH
Dodecyl sulfate, magnesium, sodium salt (4:1:2)	MeSH
Dodecyl sulfate, silver (+1) salt	MeSH
Lithium dodecyl sulfate	MeSH
Dodecyl sulfate, potassium salt	MeSH
Dodecyl sulfate, rubidium salt	MeSH
Potassium dodecyl sulfate	MeSH
Dodecyl sulfate, calcium salt	MeSH
Dodecyl sulfate, cobalt (+2) salt	MeSH
Dodecyl sulfate, nickel (+2) salt	MeSH
Dodecyl sulfate, manganese (+2) salt	MeSH

Chemical Formula

C₁₂H₂₉NO₄S

Average Molecular Mass

283.428 g/mol

Monoisotopic Mass

283.182 g/mol

CAS Registry Number

2235-54-3

IUPAC Name

(dodecyloxy)sulfonic acid amine

Traditional Name

N-dodecyl sulfate amine

SMILES

N.CCCCCCCCCCCCOS(O)(=O)=O

InChI Identifier

InChI=1S/C12H26O4S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);1H3

InChI Key

BTBJBAZGXNKLQC-UHFFFAOYSA-N

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 nitrogen compound
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
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

Liquid

Appearance

Clear liquid.

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
logP	4.42	ChemAxon
pKa (Strongest Acidic)	-1.5	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	63.6 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	68.93 m³·mol⁻¹	ChemAxon
Polarizability	31.49 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	splash10-001i-0090000000-32b62968b392192ebdc3	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-0090000000-32b62968b392192ebdc3	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-0090000000-32b62968b392192ebdc3	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-0090000000-395265c2a27ff13fd5bd	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-0090000000-395265c2a27ff13fd5bd	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001i-0090000000-395265c2a27ff13fd5bd	Spectrum

Toxicity Profile

Route of Exposure

Oral (7) ; inhalation (7) ; dermal (7)

Mechanism of Toxicity

While ammonium lauryl 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. (5, 6, 1, 2, 3)

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

Ammonium lauryl sulfate (ALS) is an anionic surfactant found primarily in shampoos and body-wash as a foaming agent. (7)

Minimum Risk Level

Not Available

Health Effects

In high concentrations ALS may cause severe irritation to eyes and skin. Inhalation and ingestion may also cause irritation. ALS may react to produce nitrosamines, which are believed to be carcinogenic. (6, 7)

Symptoms

In high concentrations ALS may cause severe irritation to eyes and skin. Inhalation and ingestion may also cause irritation. (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

Ammonium lauryl sulfate

Chemspider ID

Not Available

ChEBI ID

Not Available

PubChem Compound ID

16700

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

Ammonium lauryl sulfate (CHEM002593)

Structure for CHEM002593: Ammonium lauryl sulfate