AromaDb: A Database of Plant's Aroma Molecules

Yomogi alcohol Details

: IUPAC Name
(3E)-2,5,5-trimethylhepta-3,6-dien-2-ol
:Chemical Class
Alcohol
:CAS Registry Number
26127-98-0
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID5315406
Molecular Weight (mg/mol)154.249
Molecular FormulaC10H18O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
IUPAC Name(3E)-2,5,5-trimethylhepta-3,6-dien-2-ol
Canonical SMILESC=CC(C)(C)/C=C/C(C)(C)O
PUBCHEM IUPAC INCHIKEYCSMMFGCGBLZIJE-BQYQJAHWSA-N
Solubility Level4
Vapour Pressure-0.664

Absorption and Metabolism information

XLOGP3 AA2.6
CACTVS TPSA20.2
BBB Level1
Absorption Level0
EXT PPB#Prediction0
AlogP982.223
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD500.798644 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 26127-98-0
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 26127-98-0 Yomogi alcohol

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 sweet yarrow Achillea ageratum essential oil

Compound Image


2D Structure

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(External database - ChemAxon)