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Butyl 2-ethylhexyl phthalate Details

: IUPAC Name
O1-butyl O2-(2-ethylhexyl) benzene-1,2-dicarboxylate
:Chemical Class
:CAS Registry Number
85-69-8
:Description

:Fragrance Type
NA

Physical and Chemical properties

PUBCHEM ID6818
Molecular Weight (mg/mol)334.46
Molecular FormulaC20H30O4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
IUPAC NameO1-butyl O2-(2-ethylhexyl) benzene-1,2-dicarboxylate
Canonical SMILESCCCCOC(=O)c1ccccc1C(=O)OCC(CC)CCCC
PUBCHEM IUPAC INCHIKEYAVOLBYOSCILFLL-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA5.6
CACTVS TPSA37.29
BBB Level0
Absorption Level1
EXT PPB#Prediction1
AlogP985.886
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD5019.0213
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 85-69-8
2 85-69-8
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 85-69-8 Butyl 2-ethylhexyl phthalate

Compound Image


2D Structure

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