ContaminantDB: Dimethylethanolamine

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References Targets (1)XML

Record Information

Version

1.0

Creation Date

2014-09-11 05:18:47 UTC

Update Date

2026-03-26 19:28:52 UTC

Accession Number

CHEM003797

Identification

Common Name

Dimethylethanolamine

Class

Small Molecule

Description

Dimethylethanolamine is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]"). Dimethylethanolamine belongs to the family of Alkylamines. These are organic compounds containing an alkylamine group.

Contaminant Sources

Cosmetic Chemicals
EAFUS Chemicals
FooDB Chemicals
HPV EPA Chemicals
OECD HPV Chemicals
STOFF IDENT Compounds
T3DB toxins
ToxCast & Tox21 Chemicals

Contaminant Type

Amine
Food Additive
Food Toxin
Household Toxin
Metabolite
Organic Compound
Synthetic Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(2-Hydroxyethyl)dimethylamine	ChEBI
2-(Dimethylamino)-1-ethanol	ChEBI
2-(N,N-Dimethylamino)ethanol	ChEBI
2-Dimethylaminoethanol	ChEBI
beta-Dimethylaminoethyl alcohol	ChEBI
beta-Hydroxyethyldimethylamine	ChEBI
Deanol	ChEBI
Dimethyl(2-hydroxyethyl)amine	ChEBI
Dimethyl(hydroxyethyl)amine	ChEBI
Dimethylaminoaethanol	ChEBI
Dimethylaethanolamin	ChEBI
Dimethylmonoethanolamine	ChEBI
DMAE	ChEBI
DMEA	ChEBI
N,N-Dimethyl-2-aminoethanol	ChEBI
N,N-Dimethyl-2-hydroxyethylamine	ChEBI
N,N-Dimethyl-N-(2-hydroxyethyl)amine	ChEBI
N,N-Dimethyl-N-(beta-hydroxyethyl)amine	ChEBI
N,N-Dimethylaminoethanol	ChEBI
N-(2-Hydroxyethyl)dimethylamine	ChEBI
N-Dimethylaminoethanol	ChEBI
Norcholine	ChEBI
Propamine a	ChEBI
Dimethylaminoethanol	Kegg
b-Dimethylaminoethyl alcohol	Generator
Β-dimethylaminoethyl alcohol	Generator
b-Hydroxyethyldimethylamine	Generator
Β-hydroxyethyldimethylamine	Generator
N,N-Dimethyl-N-(b-hydroxyethyl)amine	Generator
N,N-Dimethyl-N-(β-hydroxyethyl)amine	Generator
(CH3)2nch2ch2oh	HMDB
(Dimethylamino)ethanol	HMDB
2-(Dimethylamino) ethanol	HMDB
2-(Dimethylamino)-ethanol	HMDB
2-(Dimethylamino)ethanol	HMDB
2-Dimethylamino	HMDB
2-Dimethylamino-ethanol	HMDB
2-Dwumetyloaminoetanolu	HMDB
Amietol m 21	HMDB
beta -(Dimethylamino)ethanol	HMDB
beta -(Dimethylamino)ethyl alcohol	HMDB
beta -Dimethylaminoethyl alcohol	HMDB
beta -Hydroxyethyldimethylamine	HMDB
Bimanol	HMDB
Dabco dmea	HMDB
Demanol	HMDB
Demanyl	HMDB
Dimethylethanoiamine	HMDB
Kalpur p	HMDB
Liparon	HMDB
N, N-Dimethyl(2-hydroxyethyl)amine	HMDB
N, N-Dimethyl-N-(2-hydroxyethyl)amine	HMDB
N, N-Dimethyl-N-(beta -hydroxyethyl)amine	HMDB
N,N'-dimethylethanolamine	HMDB
N,N-Dimethyl(2-hydroxyethyl)amine	HMDB
N,N-Dimethyl-beta -hydroxyethylamine	HMDB
N,N-Dimethyl-N-(beta -hydroxyethyl)amine	HMDB
N,N-Dimethyl-N-ethanolamine	HMDB
N,N-Dimethylaminoethanol (dmae)	HMDB
N,N-Dimethylethanolamine	HMDB
N-(Dimethylamino)ethanol	HMDB
N-Benzyloxycarbonyl-L-tyrosine	HMDB
N-CBZ-L-Tyrosine	HMDB
Phosphatidyl-N-dimethylethanolamine	HMDB
Tegoamin dmea	HMDB
Texacat dme	HMDB
Tonibral	HMDB
Toyocat -dma	HMDB
Varesal	HMDB
Dimethylethanolamine	ChEBI

Chemical Formula

C₄H₁₁NO

Average Molecular Mass

89.136 g/mol

Monoisotopic Mass

89.084 g/mol

CAS Registry Number

108-01-0

IUPAC Name

2-(dimethylamino)ethan-1-ol

Traditional Name

dimethylaminoethanol

SMILES

CN(C)CCO

InChI Identifier

InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3

InChI Key

UEEJHVSXFDXPFK-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

Amines

Direct Parent

1,2-aminoalcohols

Alternative Parents

Substituents

Tertiary aliphatic amine
Tertiary amine
1,2-aminoalcohol
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

tertiary amine (CHEBI:271436 )
ethanolamines (CHEBI:271436 )

Biological Properties

Status

Detected and Not Quantified

Origin

Exogenous

Cellular Locations

Cytoplasm
Extracellular

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

Not Available

Experimental Properties

Property	Value
Melting Point	-59 °C
Boiling Point	Not Available
Solubility	1000 mg/mL

Predicted Properties

Property	Value	Source
Water Solubility	1400 g/L	ALOGPS
logP	-0.46	ALOGPS
logP	-0.5	ChemAxon
logS	1.2	ALOGPS
pKa (Strongest Acidic)	15.59	ChemAxon
pKa (Strongest Basic)	9.03	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	23.47 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	26.28 m³·mol⁻¹	ChemAxon
Polarizability	10.5 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0a4i-9000000000-5592e4a7e549a923226d	Spectrum
GC-MS	GC-MS Spectrum - CI-B (Non-derivatized)	splash10-0006-9000000000-e3c643ae324aae74c4da	Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0a4i-9000000000-2732583805565c099282	Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0a4i-9000000000-3e9a264650444af400c5	Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0a4i-9000000000-5592e4a7e549a923226d	Spectrum
GC-MS	GC-MS Spectrum - CI-B (Non-derivatized)	splash10-0006-9000000000-e3c643ae324aae74c4da	Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0a4i-9000000000-2732583805565c099282	Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0a4i-9000000000-3e9a264650444af400c5	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0a4i-9000000000-130bd570c14409d6e264	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive	splash10-0a4i-9100000000-7e3751ce5da091343c18	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0006-9000000000-7869c8d8628610e5b56b	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-00dl-9000000000-36e6ea5d94dc5dee8e9a	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-00di-9000000000-bf4edbb76b100480dfc4	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-000i-9000000000-c34f99de18e22765dca8	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-000i-9000000000-2b3e58a037c39956223b	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-9000000000-198ecf458b2bd0ac56d0	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-00dl-9000000000-b1dc54e1eeb2f8609cb8	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-00di-9000000000-c286143495e50fa10a8d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-00di-9000000000-446a7821af02582da1ec	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-000i-9000000000-5497bbbd3763043445ed	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-00dr-9000000000-e714180acbb7d1c77dce	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-9000000000-61c8f1f79345316d7421	Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-0a4i-9000000000-7dbd6cd421741814dc20	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum