AromaDb: A Database of Plant's Aroma Molecules

3,7-Dimethyl-7-octen-1-ol Details

: IUPAC Name
Rhodinol
:Chemical Class
Alcohol
:CAS Registry Number
141-25-3
:Description

:Fragrance Type
rose-like aroma

Physical and Chemical properties

PUBCHEM ID543323
Molecular Weight (mg/mol)156.27
Molecular FormulaC10H20O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
IUPAC NameRhodinol
Canonical SMILESC=C(C)CCC[C@H](C)CCO
PUBCHEM IUPAC INCHIKEYJGQFVRIQXUFPAH-JTQLQIEISA-N
Solubility Level3
Vapour Pressure-1.385

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA26.3
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.102
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 LD5018.0744
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
1 141-25-3
2 141-25-3
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 141-25-3 3,7-Dimethyl-7-octen-1-ol

Compound Image


2D Structure

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