AromaDb: A Database of Plant's Aroma Molecules

Eicosanol Details

: IUPAC Name
icosoxy(trimethyl)silane
:Chemical Class
Alcohol
:CAS Registry Number
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID 6431467
Molecular Weight (g/mol) 370.728
Molecular Formula C23H50OSi
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 20
IUPAC Name icosoxy(trimethyl)silane
Canonical SMILES CCCCCCCCCCCCCCCCCCCCO[Si](C)(C)C
PUBCHEM IUPAC INCHIKEY CFOOEWBGIAYIIK-UHFFFAOYSA-N
Solubility Level 0
Vapour Pressure -5.501

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA 9.2
BBB Level 4
Absorption Level 3
EXT PPB#Prediction 1
AlogP98 10.588
EXT CYP2D6#Prediction 1

Toxicological Information

Mouse Female FDA Non-Carcinogen
Mouse Male FDA Multi-Carcinogen
Rat Female FDA Single-Carcinogen
Rat Male FDA Non-Carcinogen
Ames Prediction Non-Mutagen
Developmental / Reproductive Toxicity Non-Toxic
Rat Oral LD50 45.2536 g/kg_body_weight
Ocular Irritancy None
Hepatotoxic#Prediction 0
Effected Human Genes

Ecological Information

Aerobic Biodegradability Prediction Degradable

Hazard(s) Identification

Physical hazards not classified
Health hazards Mild
Environmental hazards not classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteractionInteraction Actions PubMed Id
1
2
3
Serial No. Activity Name DetailsReferences (PubMed)Other details EPA (U.S) Clinical Trials (U.S. NIH)
1 Eicosanol

Plant Variety and Essential oils

Serial No. Plant NameVariety NameEssential OilCompound Percentage
1 Yellow bugle Ajuga chamaepitys essential oil
2 Holy Ghost Angelica archangelica essential oil

Compound Image


2D Structure

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