AromaDb: A Database of Plant's Aroma Molecules

Pentadecane Details

: IUPAC Name
pentadecane
:Chemical Class
Alkane
:CAS Registry Number
629-62-9
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID12391
Molecular Weight (mg/mol)212.415
Molecular FormulaC15H32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count12
IUPAC Namepentadecane
Canonical SMILESCCCCCCCCCCCCCCC
PUBCHEM IUPAC INCHIKEYYCOZIPAWZNQLMR-UHFFFAOYSA-N
Solubility Level1
Vapour Pressure-2.575

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA0
BBB Level4
Absorption Level3
EXT PPB#Prediction1
AlogP987.214
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 LD509.59194 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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 629-62-9 Pentadecane

Compound Image


2D Structure

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(External database - ChemAxon)