Record Information
Version1.0
Creation date2010-04-08 22:05:42 UTC
Update date2015-07-20 21:52:18 UTC
Primary IDFDB003236
Secondary Accession NumbersNot Available
Chemical Information
FooDB Name2-Ethoxyethanol
DescriptionDiluent in colour additive mixts. for marking food 2-Ethoxyethanol, also known by the trademark Cellosolve or ethyl cellosolve, is a solvent used widely in commercial and industrial applications. It is a clear, colorless, nearly odorless liquid that is miscible with water, ethanol, diethyl ether, acetone, and ethyl acetate.; As with other glycol ethers, 2-ethoxyethanol has the useful property of being able to dissolve chemically diverse compounds. It will dissolve oils, resins, grease, waxes, nitrocellulose, and lacquers. This is an ideal property as a multi-purpose cleaner and therefore 2-ethoxyethanol is used in products such as varnish removers and degreasing solutions.
CAS Number110-80-5
Structure
Thumb
Synonyms
SynonymSource
2-Ethoxyethyl alcoholChEBI
2EEChEBI
beta-EthoxyethanolChEBI
CellosolveChEBI
Ethylene glycol ethyl etherChEBI
Ethylene glycol monoethyl etherChEBI
HOCH2CH2OC2H5ChEBI
OxitolChEBI
b-EthoxyethanolGenerator
Β-ethoxyethanolGenerator
2-Ethoxy-ethanolHMDB
2-Ethoxyethanol (cellosolve)HMDB
Athylenglykol-monoathylatherHMDB
Bikanol e 1HMDB
Bikanol e1HMDB
Cellosolve solventHMDB
Cellosolve(R)HMDB
CelosolvHMDB
Dowanol 8HMDB
Dowanol eeHMDB
Ee solventHMDB
EGEEHMDB
EmkanolHMDB
Eter monoetilico del etilenglicolHMDB
Ether monoethylique de l'ethylene-glycolHMDB
EthoxyethanolHMDB
Ethyl 2-hydroxyethyl etherHMDB
Ethyl cellosolveHMDB
Ethyl ethylene glycolHMDB
Ethyl glycolHMDB
Ethyl icinolHMDB
Ethyl-2-hydroxyethyl etherHMDB
Ethylene glycol monoethyl ether (egmee)HMDB
Ethylethylene glycolHMDB
Etoksyetylowy alkoholHMDB
ETXHMDB
Glycol ether eeHMDB
Glycol ethyl etherHMDB
Glycol monoethyl etherHMDB
HSDB 54HMDB
Hydroxy etherHMDB
Jeffersol eeHMDB
Plastiazan 60HMDB
Poly-solv eeHMDB
SolvidHMDB
SolvuloseHMDB
EthylcellosolveHMDB
β-ethoxyethanolbiospider
2-ethoxyethanol (cellosolve)biospider
Beta-ethoxyethanolbiospider
Bikanol E 1biospider
Bikanol E1db_source
Cellosolve(r)biospider
Ethanol, 2-ethoxy-biospider
Ethoxyethanol, 2-biospider
Ethylene glycol monoethyl ether [UN1171] [Flammable liquid]biospider
β-ethoxyethanolGenerator
Predicted Properties
PropertyValueSource
Water Solubility585 g/LALOGPS
logP-0.28ALOGPS
logP-0.21ChemAxon
logS0.81ALOGPS
pKa (Strongest Acidic)15.12ChemAxon
pKa (Strongest Basic)-2.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area29.46 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity24.05 m³·mol⁻¹ChemAxon
Polarizability10.27 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaC4H10O2
IUPAC name2-ethoxyethan-1-ol
InChI IdentifierInChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3
InChI KeyZNQVEEAIQZEUHB-UHFFFAOYSA-N
Isomeric SMILESCCOCCO
Average Molecular Weight90.121
Monoisotopic Molecular Weight90.068079564
Classification
Description belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassEthers
Direct ParentDialkyl ethers
Alternative ParentsNot Available
SubstituentsNot Available
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Source:

Biological location:

Role

Industrial application:

Environmental role:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 53.31%; H 11.18%; O 35.51%DFC
Melting PointFp -70°DFC
Boiling PointBp743 134.8°DFC
Experimental Water Solubility1000 mg/mLDOW CHEMICAL COMPANY (1981)
Experimental logP-0.32HANSCH,C ET AL. (1995)
Experimental pKa14.8
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-053r-9000000000-5dc066ff709d1b4ac65fView in MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-001i-9000000000-47b8fcaa1e4d030a151eView in MoNA
GC-MSGC-MS Spectrum - CI-B (Non-derivatized)splash10-0006-9000000000-c8c2d9fbc9c8dd7db345View in MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-053r-9000000000-e5c5aa3dd9523944247fView in MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-001i-9000000000-7964f37f6fd567c3ec16View in MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-053r-9000000000-5dc066ff709d1b4ac65fView in MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-001i-9000000000-47b8fcaa1e4d030a151eView in MoNA
GC-MSGC-MS Spectrum - CI-B (Non-derivatized)splash10-0006-9000000000-c8c2d9fbc9c8dd7db345View in MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-053r-9000000000-e5c5aa3dd9523944247fView in MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-001i-9000000000-7964f37f6fd567c3ec16View in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-005a-9000000000-6e3b452bbca9f2a7af82View in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positivesplash10-0g6r-9400000000-e4a0d7e0aa765185135fView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0006-9000000000-4b4ed053128cab59abd9View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0007-9000000000-d06fa0d9e63a37a919c4View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-9000000000-77bf305865c7403b5853View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-000i-9000000000-7d70c3f0391d65ca1850View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-000i-9000000000-ddcf5d6988eccb20911aView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0007-9000000000-34681a8a602f97b2fbabView in MoNA
MSMass Spectrum (Electron Ionization)splash10-0a7i-9000000000-6f87cf327808624e8902View in MoNA
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
ChemSpider ID13836591
ChEMBL IDCHEMBL119596
KEGG Compound IDC14687
Pubchem Compound ID8076
Pubchem Substance IDNot Available
ChEBI ID46788
Phenol-Explorer IDNot Available
DrugBank IDDB02249
HMDB IDHMDB31213
CRC / DFC (Dictionary of Food Compounds) IDCTW16-L:CTW16-L
EAFUS ID1182
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDETX
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia ID2-Ethoxyethanol
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference