AromaDb: A Database of Plant's Aroma Molecules

Tricosane Details

: IUPAC Name
tricosane
:Chemical Class
Alkane
:CAS Registry Number
638-67-5
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID12534
Molecular Weight (mg/mol)324.627
Molecular FormulaC23H48
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count20
IUPAC Nametricosane
Canonical SMILESCCCCCCCCCCCCCCCCCCCCCCC
PUBCHEM IUPAC INCHIKEYFIGVVZUWCLSUEI-UHFFFAOYSA-N
Solubility Level0
Vapour Pressure-5.574

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA0
BBB Level4
Absorption Level3
EXT PPB#Prediction1
AlogP9810.864
EXT CYP2D6#Prediction1

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD5024.1036 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

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

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 638-67-5
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 638-67-5 Tricosane

Compound Image


2D Structure

Download




Download Sdf File Download PDB File Download MOL File
View Similar Structures
(External database - ChemAxon)