AromaDb: A Database of Plant's Aroma Molecules

Dimethylphenethylcarbinol Details

: IUPAC Name
2-Methyl-4-phenyl-2-butanol
:Chemical Class
:CAS Registry Number
103-05-9
:Description

:Fragrance Type
rose sweetness aroma??

Physical and Chemical properties

PUBCHEM ID7632
Molecular Weight (mg/mol)164.249
Molecular FormulaC11H16O
Hydrogen Bond Donor CountNA
Hydrogen Bond Acceptor CountNA
Rotatable Bond CountNA
IUPAC Name2-Methyl-4-phenyl-2-butanol
Canonical SMILESCC(C)(O)CCc1ccccc1
PUBCHEM IUPAC INCHIKEYYXVSKJDFNJFXAJ-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-2.06

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSANA
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.585
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDANon-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD502.31856
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

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
1 103-05-9
2 103-05-9
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 103-05-9 Dimethylphenethylcarbinol

Compound Image


2D Structure

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