ContaminantDB: 2-Ethoxyethanol

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

Record Information

Version

1.0

Creation Date

2014-09-16 17:09:04 UTC

Update Date

2026-03-27 01:23:10 UTC

Accession Number

CHEM003899

Identification

Common Name

2-Ethoxyethanol

Class

Small Molecule

Description

2-Ethoxyethanol is a diluent in colour additive mixtures 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. 2-Ethoxyethanol belongs to the family of Primary Alcohols. These are compounds comprising the primary alcohol functional group, with the general strucuture RCOH (R=alkyl, aryl).

Contaminant Sources

Clean Air Act Chemicals
EAFUS Chemicals
ECHA Toxic for reproduction
FooDB Chemicals
HMDB Contaminants - Feces
HPV EPA Chemicals
OECD HPV Chemicals
STOFF IDENT Compounds
T3DB toxins
ToxCast & Tox21 Chemicals

Contaminant Type

Ether
Food Additive
Food Toxin
Household Toxin
Industrial/Workplace Toxin
Metabolite
Organic Compound
Pollutant
Solvent
Synthetic Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
2-Ethoxyethyl alcohol	ChEBI
2EE	ChEBI
beta-Ethoxyethanol	ChEBI
Cellosolve	ChEBI
Ethylene glycol ethyl ether	ChEBI
Ethylene glycol monoethyl ether	ChEBI
HOCH2CH2OC2H5	ChEBI
Oxitol	ChEBI
b-Ethoxyethanol	Generator
Β-ethoxyethanol	Generator
2-Ethoxy-ethanol	HMDB
2-Ethoxyethanol (cellosolve)	HMDB
Athylenglykol-monoathylather	HMDB
Bikanol e 1	HMDB
Bikanol e1	HMDB
Cellosolve solvent	HMDB
Cellosolve(R)	HMDB
Celosolv	HMDB
Dowanol 8	HMDB
Dowanol ee	HMDB
Ee solvent	HMDB
EGEE	HMDB
Emkanol	HMDB
Eter monoetilico del etilenglicol	HMDB
Ether monoethylique de l'ethylene-glycol	HMDB
Ethoxyethanol	HMDB
Ethyl 2-hydroxyethyl ether	HMDB
Ethyl cellosolve	HMDB
Ethyl ethylene glycol	HMDB
Ethyl glycol	HMDB
Ethyl icinol	HMDB
Ethyl-2-hydroxyethyl ether	HMDB
Ethylene glycol monoethyl ether (egmee)	HMDB
Ethylethylene glycol	HMDB
Etoksyetylowy alkohol	HMDB
ETX	HMDB
Glycol ether ee	HMDB
Glycol ethyl ether	HMDB
Glycol monoethyl ether	HMDB
HSDB 54	HMDB
Hydroxy ether	HMDB
Jeffersol ee	HMDB
Plastiazan 60	HMDB
Poly-solv ee	HMDB
Solvid	HMDB
Solvulose	HMDB
Ethylcellosolve	HMDB

Chemical Formula

C₄H₁₀O₂

Average Molecular Mass

90.121 g/mol

Monoisotopic Mass

90.068 g/mol

CAS Registry Number

110-80-5

IUPAC Name

2-ethoxyethan-1-ol

Traditional Name

2-ethoxyethanol

SMILES

CCOCCO

InChI Identifier

InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3

InChI Key

ZNQVEEAIQZEUHB-UHFFFAOYSA-N

Chemical Taxonomy

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.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Ethers

Direct Parent

Dialkyl ethers

Alternative Parents

Substituents

Dialkyl ether
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

primary alcohol (CHEBI:46788 )
hydroxyether (CHEBI:46788 )

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	-70°C
Boiling Point	135°C
Solubility	1E+006 mg/L

Predicted Properties

Property	Value	Source
Water Solubility	585 g/L	ALOGPS
logP	-0.28	ALOGPS
logP	-0.21	ChemAxon
logS	0.81	ALOGPS
pKa (Strongest Acidic)	15.12	ChemAxon
pKa (Strongest Basic)	-2.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	29.46 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	24.05 m³·mol⁻¹	ChemAxon
Polarizability	10.27 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)	splash10-053r-9000000000-5dc066ff709d1b4ac65f	Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-001i-9000000000-47b8fcaa1e4d030a151e	Spectrum
GC-MS	GC-MS Spectrum - CI-B (Non-derivatized)	splash10-0006-9000000000-c8c2d9fbc9c8dd7db345	Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-053r-9000000000-e5c5aa3dd9523944247f	Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-001i-9000000000-7964f37f6fd567c3ec16	Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-053r-9000000000-5dc066ff709d1b4ac65f	Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-001i-9000000000-47b8fcaa1e4d030a151e	Spectrum
GC-MS	GC-MS Spectrum - CI-B (Non-derivatized)	splash10-0006-9000000000-c8c2d9fbc9c8dd7db345	Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-053r-9000000000-e5c5aa3dd9523944247f	Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-001i-9000000000-7964f37f6fd567c3ec16	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-005a-9000000000-6e3b452bbca9f2a7af82	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive	splash10-0g6r-9400000000-e4a0d7e0aa765185135f	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QTOF 4V, positive	splash10-006t-9000000000-f73c1d5242c0aef7d432	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QTOF 5V, positive	splash10-006t-9000000000-19b8f62413a7d3b11b5e	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QTOF 7V, positive	splash10-0002-9000000000-d1307c67fccce5256585	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QTOF 10V, positive	splash10-0002-9000000000-620ed1866d42c21986bd	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QTOF 15V, positive	splash10-0002-9000000000-6b8651882ffb9f9043fb	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QTOF 17V, positive	splash10-0002-9000000000-c91998a1b2f5044cb7f9	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QTOF 20V, positive	splash10-0002-9000000000-60ddc40626658f4d10e8	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QTOF 23V, positive	splash10-0002-9000000000-4fdfe3e5bb40779449db	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QTOF 25V, positive	splash10-0002-9000000000-41a4a97bed7c97824a7d	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QTOF 27V, positive	splash10-0002-9000000000-57eba3f99dbb0ffc7be7	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QTOF 30V, positive	splash10-0002-9000000000-05a027c481265dfbaf4d	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QTOF 33V, positive	splash10-0002-9000000000-3d8bda0325f1b8b478ef	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QTOF 35V, positive	splash10-0005-9000000000-727d189c68501d15d642	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QTOF 5V, positive	splash10-0002-9000000000-874077494e98f2ca5a70	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QTOF 7V, positive	splash10-0002-9000000000-70227a8253ea8e81dc97	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QTOF 10V, positive	splash10-0002-9000000000-4ed9d64e99c627f6cf25	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QTOF 15V, positive	splash10-0002-9000000000-ba316c4511164b604b72	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QTOF 17V, positive	splash10-0002-9000000000-ba316c4511164b604b72	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0006-9000000000-4b4ed053128cab59abd9	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0007-9000000000-d06fa0d9e63a37a919c4	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0002-9000000000-77bf305865c7403b5853	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-000i-9000000000-7d70c3f0391d65ca1850	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-000i-9000000000-ddcf5d6988eccb20911a	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0007-9000000000-34681a8a602f97b2fbab	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0002-9000000000-9cf170aad2b62e1f5f74	Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-0a7i-9000000000-6f87cf327808624e8902	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C 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

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)

No indication of carcinogenicity to humans (not listed by IARC).

Uses/Sources

2-Ethoxyethanol, also known by the trademark Cellosolve or ethyl cellosolve, is a solvent used widely in commercial and industrial applications. 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.

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID