AromaDb: A Database of Plant's Aroma Molecules

Eicosane Details

: IUPAC Name
icosane
:Chemical Class
Alkane
:CAS Registry Number
112-95-8
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID8222
Molecular Weight (mg/mol)282.547
Molecular FormulaC20H42
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count17
IUPAC Nameicosane
Canonical SMILESCCCCCCCCCCCCCCCCCCCC
PUBCHEM IUPAC INCHIKEYCBFCDTFDPHXCNY-UHFFFAOYSA-N
Solubility Level1
Vapour Pressure-4.995

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA0
BBB Level4
Absorption Level3
EXT PPB#Prediction1
AlogP989.495
EXT CYP2D6#Prediction1

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 LD5017.4103 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
1 112-95-8 NA Mice NCI In Vivo Anticancer Drug Screen. Data for tumor model L1210 Leukemia (intraperitoneal) in B6D2F1 (BDF1) mice undefined
2 112-95-8 NA Mice NCI In Vivo Anticancer Drug Screen. Data for tumor model L1210 Leukemia (intraperitoneal) in CD2F1 (CDF1) mice undefined
3 112-95-8 NA Mice NCI In Vivo Anticancer Drug Screen. Data for tumor model P388 Leukemia (intraperitoneal) in B6D2F1 (BDF1) mice undefined
4 112-95-8 NA Mice NCI In Vivo Anticancer Drug Screen. Data for tumor model P388 Leukemia (intraperitoneal) in CD2F1 (CDF1) mice undefined
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 112-95-8 Eicosane

Compound Image


2D Structure

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(External database - ChemAxon)