Dimethylethanolamine (CHEM003797)

Record Information
Version1.0
Creation Date2014-09-11 05:18:47 UTC
Update Date2026-05-14 19:32:32 UTC
Accession NumberCHEM003797
Identification
Common NameDimethylethanolamine
ClassSmall 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
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
(2-Hydroxyethyl)dimethylamineChEBI
2-(Dimethylamino)-1-ethanolChEBI
2-(N,N-Dimethylamino)ethanolChEBI
2-DimethylaminoethanolChEBI
beta-Dimethylaminoethyl alcoholChEBI
beta-HydroxyethyldimethylamineChEBI
DeanolChEBI
Dimethyl(2-hydroxyethyl)amineChEBI
Dimethyl(hydroxyethyl)amineChEBI
DimethylaminoaethanolChEBI
DimethylaethanolaminChEBI
DimethylmonoethanolamineChEBI
DMAEChEBI
DMEAChEBI
N,N-Dimethyl-2-aminoethanolChEBI
N,N-Dimethyl-2-hydroxyethylamineChEBI
N,N-Dimethyl-N-(2-hydroxyethyl)amineChEBI
N,N-Dimethyl-N-(beta-hydroxyethyl)amineChEBI
N,N-DimethylaminoethanolChEBI
N-(2-Hydroxyethyl)dimethylamineChEBI
N-DimethylaminoethanolChEBI
NorcholineChEBI
Propamine aChEBI
DimethylaminoethanolKegg
b-Dimethylaminoethyl alcoholGenerator
Β-dimethylaminoethyl alcoholGenerator
b-HydroxyethyldimethylamineGenerator
Β-hydroxyethyldimethylamineGenerator
N,N-Dimethyl-N-(b-hydroxyethyl)amineGenerator
N,N-Dimethyl-N-(β-hydroxyethyl)amineGenerator
(CH3)2nch2ch2ohHMDB
(Dimethylamino)ethanolHMDB
2-(Dimethylamino) ethanolHMDB
2-(Dimethylamino)-ethanolHMDB
2-(Dimethylamino)ethanolHMDB
2-DimethylaminoHMDB
2-Dimethylamino-ethanolHMDB
2-DwumetyloaminoetanoluHMDB
Amietol m 21HMDB
beta -(Dimethylamino)ethanolHMDB
beta -(Dimethylamino)ethyl alcoholHMDB
beta -Dimethylaminoethyl alcoholHMDB
beta -HydroxyethyldimethylamineHMDB
BimanolHMDB
Dabco dmeaHMDB
DemanolHMDB
DemanylHMDB
DimethylethanoiamineHMDB
Kalpur pHMDB
LiparonHMDB
N, N-Dimethyl(2-hydroxyethyl)amineHMDB
N, N-Dimethyl-N-(2-hydroxyethyl)amineHMDB
N, N-Dimethyl-N-(beta -hydroxyethyl)amineHMDB
N,N'-dimethylethanolamineHMDB
N,N-Dimethyl(2-hydroxyethyl)amineHMDB
N,N-Dimethyl-beta -hydroxyethylamineHMDB
N,N-Dimethyl-N-(beta -hydroxyethyl)amineHMDB
N,N-Dimethyl-N-ethanolamineHMDB
N,N-Dimethylaminoethanol (dmae)HMDB
N,N-DimethylethanolamineHMDB
N-(Dimethylamino)ethanolHMDB
N-Benzyloxycarbonyl-L-tyrosineHMDB
N-CBZ-L-TyrosineHMDB
Phosphatidyl-N-dimethylethanolamineHMDB
Tegoamin dmeaHMDB
Texacat dmeHMDB
TonibralHMDB
Toyocat -dmaHMDB
VaresalHMDB
DimethylethanolamineChEBI
Chemical FormulaC4H11NO
Average Molecular Mass89.136 g/mol
Monoisotopic Mass89.084 g/mol
CAS Registry Number108-01-0
IUPAC Name2-(dimethylamino)ethan-1-ol
Traditional Namedimethylaminoethanol
SMILESCN(C)CCO
InChI IdentifierInChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3
InChI KeyUEEJHVSXFDXPFK-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.
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassAmines
Direct Parent1,2-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 FrameworkAliphatic acyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Extracellular
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateLiquid
AppearanceNot Available
Experimental Properties
PropertyValue
Melting Point-59 °C
Boiling PointNot Available
Solubility1000 mg/mL
Predicted Properties
PropertyValueSource
Water Solubility1400 g/LALOGPS
logP-0.46ALOGPS
logP-0.5ChemAxon
logS1.2ALOGPS
pKa (Strongest Acidic)15.59ChemAxon
pKa (Strongest Basic)9.03ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area23.47 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity26.28 m³·mol⁻¹ChemAxon
Polarizability10.5 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
External Links
DrugBank IDDB13352
HMDB IDHMDB0032231
FooDB IDFDB009311
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkDimethylethanolamine
Chemspider ID13854944
ChEBI ID271436
PubChem Compound ID7902
Kegg Compound IDC04308
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=10930630
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=112632
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=150413
4. https://www.ncbi.nlm.nih.gov/pubmed/?term=15675889
5. https://www.ncbi.nlm.nih.gov/pubmed/?term=17300230
6. https://www.ncbi.nlm.nih.gov/pubmed/?term=22300295
7. https://www.ncbi.nlm.nih.gov/pubmed/?term=251230
8. https://www.ncbi.nlm.nih.gov/pubmed/?term=3173167
9. https://www.ncbi.nlm.nih.gov/pubmed/?term=3361965
10. https://www.ncbi.nlm.nih.gov/pubmed/?term=6099712
11. https://www.ncbi.nlm.nih.gov/pubmed/?term=6106283
12. https://www.ncbi.nlm.nih.gov/pubmed/?term=6679337
13. https://www.ncbi.nlm.nih.gov/pubmed/?term=6694079
14. https://www.ncbi.nlm.nih.gov/pubmed/?term=7020434
15. https://www.ncbi.nlm.nih.gov/pubmed/?term=830732
16. https://www.ncbi.nlm.nih.gov/pubmed/?term=850128
17. https://www.ncbi.nlm.nih.gov/pubmed/?term=913228
18. Su X, Cunningham MF, Jessop PG: Switchable viscosity triggered by CO2 using smart worm-like micelles. Chem Commun (Camb). 2013 Apr 4;49(26):2655-7. doi: 10.1039/c3cc37816k.
19. EAFUS: Everything Added to Food in the United States.