AromaDb: A Database of Plant's Aroma Molecules

N-Decane Details

: IUPAC Name
decane
:Chemical Class
:CAS Registry Number
124-18-5
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID15600
Molecular Weight (mg/mol)142.282
Molecular FormulaC10H22
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count7
IUPAC Namedecane
Canonical SMILESCCCCCCCCCC
PUBCHEM IUPAC INCHIKEYDIOQZVSQGTUSAI-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure0.072

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA0
BBB Level0
Absorption Level1
EXT PPB#Prediction1
AlogP984.933
EXT CYP2D6#Prediction0

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 LD504.70844 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
1 124-18-5 CXCL8 Homo sapiens decane results in increased expression of and results in increased secretion of CXCL8 protein increases^expression|increases^secretion 19720135
2 124-18-5 CXCL8 Homo sapiens decane results in increased expression of and results in increased secretion of CXCL8 protein increases^expression|increases^secretion 19720135
3 124-18-5 IL6 Homo sapiens decane results in increased expression of and results in increased secretion of IL6 protein increases^expression|increases^secretion 19720135
4 124-18-5 IL6 Homo sapiens decane results in increased expression of and results in increased secretion of IL6 protein increases^expression|increases^secretion 19720135
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 124-18-5 N-Decane

Compound Image


2D Structure

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(External database - ChemAxon)