AromaDb: A Database of Plant's Aroma Molecules

trans-3,7-Dimethyl-2,6-octadien-1-ol Details

: IUPAC Name
Geraniol
:Chemical Class
:CAS Registry Number
106-24-1
:Description

:Fragrance Type
rose-like aroma??

Physical and Chemical properties

PUBCHEM ID637566
Molecular Weight (mg/mol)154.254
Molecular FormulaC10H18O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
IUPAC NameGeraniol
Canonical SMILESC/C(C)=C/CC/C(C)=C/CO
PUBCHEM IUPAC INCHIKEYGLZPCOQZEFWAFX-JXMROGBWSA-N
Solubility Level3
Vapour Pressure-1.555

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA37.29
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.934
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD503.92477
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
1 106-24-1
2 106-24-1
3 106-24-1
4 106-24-1
5 106-24-1
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 106-24-1 trans-3,7-Dimethyl-2,6-octadien-1-ol

Compound Image


2D Structure

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