ContaminantDB: MAGNESIUM LAURATE

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References Targets (25)XML

Record Information

Version

1.0

Creation Date

2016-05-19 02:12:48 UTC

Update Date

2026-04-17 17:03:23 UTC

Accession Number

CHEM006358

Identification

Common Name

MAGNESIUM LAURATE

Class

Small Molecule

Description

Magnesium laurate is an organic compound with the chemical formula C24H46MgO4 and an average molecular weight of 422.93 g/mol. MAGNESIUM LAURATE belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. In industrial applications, this compound serves several functional roles, acting as a binder, emulsifier, anti-caking agent, and lubricating agent. It has been identified in four recorded sources, including magnets found in electrical and electronic equipment. Additionally, it is present in household cleaning and consumer products, specifically within other smoking requisites, non electric simulated smoking devices, and cigar cigarettes.

Contaminant Sources

EAFUS Chemicals
FooDB Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Magnesium(2+) ion didodecanoic acid	Generator
Lauric acid, barium and cadmium salt (4:1:1)	MeSH
Lauric acid, calcium salt	MeSH
Sodium laurate	MeSH
Lauric acid, ammonium salt	MeSH
Lauric acid, magnesium salt	MeSH
Lauric acid, potassium salt	MeSH
Potassium laurate	MeSH
Lauric acid	MeSH
Lauric acid, nickel(2+) salt	MeSH
Sodium dodecanoate	MeSH
Dodecanoic acid	MeSH
Lauric acid, lithium salt	MeSH
Lauric acid, sodium salt	MeSH
Magnesium dodecanoic acid	Generator

Chemical Formula

C₂₄H₄₆MgO₄

Average Molecular Mass

422.925 g/mol

Monoisotopic Mass

422.325 g/mol

CAS Registry Number

4040-48-6

IUPAC Name

Not Available

Traditional Name

magnesium(2+) ion dilaurate

SMILES

[Mg++].CCCCCCCCCCCC([O-])=O.CCCCCCCCCCCC([O-])=O

InChI Identifier

InChI=1S/2C12H24O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2*2-11H2,1H3,(H,13,14);/q;;+2/p-2

InChI Key

BJZBHTNKDCBDNQ-UHFFFAOYSA-L

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.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Medium-chain fatty acids

Alternative Parents

Substituents

Medium-chain fatty acid
Straight chain fatty acid
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organic salt
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Not Available

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

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

Not Available

Appearance

Not Available

Experimental Properties

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

Predicted Properties

Property	Value	Source
Water Solubility	2.9e-05 g/L	ALOGPS
logP	9.13	ALOGPS
logP	4.48	ChemAxon
logS	-7.2	ALOGPS
pKa (Strongest Acidic)	4.95	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	40.13 Å²	ChemAxon
Rotatable Bond Count	20	ChemAxon
Refractivity	69.52 m³·mol⁻¹	ChemAxon
Polarizability	25.37 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not Available

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

Not Available

HMDB ID

HMDB0303347

FooDB ID

FDB011453

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

Not Available

Chemspider ID

55258

ChEBI ID

Not Available

PubChem Compound ID

Not Available

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

MAGNESIUM LAURATE (CHEM006358)

Structure for CHEM006358: MAGNESIUM LAURATE