ContaminantDB: Ethofenprox

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-19 02:42:55 UTC

Update Date

2026-03-26 20:04:41 UTC

Accession Number

CHEM008292

Identification

Common Name

Ethofenprox

Class

Small Molecule

Description

An aromatic ether that is the 3-phenoxybenzyl ether of 2-(4-ethoxyphenyl)-2-methylpropan-1-ol.

Contaminant Sources

My Exposome Chemicals
STOFF IDENT Compounds
ToxCast & Tox21 Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Ethofenprox	ChEBI
Ethophenprox	ChEBI
Etofenprox	MeSH
Trebon	MeSH
2-(4-Ethoxyphenyl)-2-methylpropyl-3-phenoxybenzyl ether	MeSH

Chemical Formula

C₂₅H₂₈O₃

Average Molecular Mass

376.496 g/mol

Monoisotopic Mass

376.204 g/mol

CAS Registry Number

80844-07-1

IUPAC Name

1-{[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl}-3-phenoxybenzene

Traditional Name

1-{[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl}-3-phenoxybenzene

SMILES

CCOC1=CC=C(C=C1)C(C)(C)COCC1=CC(OC2=CC=CC=C2)=CC=C1

InChI Identifier

InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3

InChI Key

YREQHYQNNWYQCJ-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Diphenylethers

Direct Parent

Diphenylethers

Alternative Parents

Substituents

Diphenylether
Diaryl ether
Phenylpropane
Benzylether
Phenoxy compound
Phenol ether
Alkyl aryl ether
Ether
Dialkyl ether
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

aromatic ether (CHEBI:39348 )
Pyrethroid insecticides (C18410 )

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	4.0e-05 g/L	ALOGPS
logP	6.66	ALOGPS
logP	6.3	ChemAxon
logS	-7	ALOGPS
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	27.69 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	113.32 m³·mol⁻¹	ChemAxon
Polarizability	43.1 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 30V, Positive	splash10-002r-0791000000-d685d82f16871228fc1f	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 60V, Positive	splash10-059i-2930000000-0e80d8775a1da347bb2b	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 75V, Positive	splash10-0avl-2920000000-b5caf3780af66a1b0cdb	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 30V, Positive	splash10-002r-0791000000-39cfbc742c7a71c967f7	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 15V, Positive	splash10-009i-0389000000-65675e104a32753b1ced	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 45V, Positive	splash10-000i-1960000000-081792229c938d8217a4	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 60V, Positive	splash10-059i-2930000000-edf9fbc12edd860f36f5	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 75V, Positive	splash10-0avl-2920000000-4af5ce7268c4787cb3ab	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 90V, Positive	splash10-00kf-3910000000-ce1c95c5a023832c2119	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-004i-0509000000-6e835e5801bd74720ca9	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-004i-1923000000-de79b912d28ff34acac6	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0fi0-3900000000-8f4e68e02d603bc74b74	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-0109000000-7a612561523ca4108d0f	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004j-2509000000-b5f257afb02135745e51	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-9811000000-9abdd33425553d7633c8	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-004i-0629000000-752f0717cb35d5ad62a9	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-057i-2924000000-af750cd817e07899c7f9	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-003r-3901000000-66177f5a6a2efc12ba25	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-0009000000-68110107507506bb7533	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0032-1309000000-2d92847304aef9f06e4d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-03dl-3901000000-8a2daf27b0974771c9df	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)

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

HMDB0252109

FooDB ID

Not Available

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

Etofenprox

Chemspider ID

64377

ChEBI ID

39348

PubChem Compound ID

Not Available

Kegg Compound ID

C18410

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

1. https://www.ncbi.nlm.nih.gov/pubmed/?term=10635564

2. https://www.ncbi.nlm.nih.gov/pubmed/?term=11272920

3. https://www.ncbi.nlm.nih.gov/pubmed/?term=11857772

4. https://www.ncbi.nlm.nih.gov/pubmed/?term=9648233

Ethofenprox (CHEM008292)

Structure for CHEM008292: Ethofenprox