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2,6-diethyl-5-isopropyl-2-methyltetrahydropyran Details

: IUPAC Name
5-Isopropyl-2,6-diethyl-2-methyltetrahydro-2H-pyran
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type
fresh aroma

Physical and Chemical properties

PUBCHEM ID45274957
Molecular Weight (mg/mol)198.351
Molecular FormulaC13H26O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
IUPAC Name5-Isopropyl-2,6-diethyl-2-methyltetrahydro-2H-pyran
Canonical SMILESCCC1OC(C)(CC)CCC1C(C)C
PUBCHEM IUPAC INCHIKEYPSBALWGXLHHTHS-JHJVBQTASA-N
Solubility Level2
Vapour Pressure-1.253

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA51.6
BBB Level0
Absorption Level0
EXT PPB#Prediction0
AlogP984.002
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD504.59332
Ocular IrritancyModerate
Hepatotoxic#Prediction1
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

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

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 2,6-diethyl-5-isopropyl-2-methyltetrahydropyran

Compound Image


2D Structure

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