AromaDb: A Database of Plant's Aroma Molecules

2,3-Dihydrofarnesol Details

: IUPAC Name
+/--Dihydrofarnesol
:Chemical Class
Sesquiterpene
:CAS Registry Number
:Description

:Fragrance Type
fruity aroma??????

Physical and Chemical properties

PUBCHEM ID5280341
Molecular Weight (mg/mol)224.389
Molecular FormulaC15H28O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
IUPAC Name+/--Dihydrofarnesol
Canonical SMILESC/C(C)=CCC/C(C)=C/CCC(C)CCO
PUBCHEM IUPAC INCHIKEYOOOOFOPLSIWRAR-AAWPKVBNSA-N
Solubility Level3
Vapour Pressure-3.16

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA20.23
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP984.875
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 ToxicityToxic
Rat Oral LD508.76798
Ocular IrritancyNone
Hepatotoxic#Prediction0
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 2,3-Dihydrofarnesol

Compound Image


2D Structure

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