AromaDb: A Database of Plant's Aroma Molecules

2,3-Dihydrogeraniol Details

: IUPAC Name
dl-Citronellol
:Chemical Class
Sesquiterpene
:CAS Registry Number
7540-51-4
:Description

:Fragrance Type
rose-like aroma??????

Physical and Chemical properties

PUBCHEM ID8842
Molecular Weight (mg/mol)156.27
Molecular FormulaC10H20O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
IUPAC Namedl-Citronellol
Canonical SMILESC/C(C)=CCCC(C)CCO
PUBCHEM IUPAC INCHIKEYQMVPMAAFGQKVCJ-JTQLQIEISA-N
Solubility Level3
Vapour Pressure-1.426

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA75.9
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.049
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 LD505.47809
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 7540-51-4
2 7540-51-4
3 7540-51-4
4 7540-51-4
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 7540-51-4 2,3-Dihydrogeraniol

Compound Image


2D Structure

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