AromaDb: A Database of Plant's Aroma Molecules

Pentadecanoic Acid Details

: IUPAC Name
pentadecanoic acid
:Chemical Class
Acid
:CAS Registry Number
1002-84-2
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID13849
Molecular Weight (mg/mol)242.398
Molecular FormulaC15H30O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
IUPAC Namepentadecanoic acid
Canonical SMILESCCCCCCCCCCCCCCC(=O)O
PUBCHEM IUPAC INCHIKEYWQEPLUUGTLDZJY-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure-5.255

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA37.3
BBB Level0
Absorption Level1
EXT PPB#Prediction1
AlogP985.936
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD507.10446 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

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

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 1002-84-2
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 1002-84-2 Pentadecanoic Acid

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Gurmari Gymnema sylvestre essential oil
2 Blackcurrant Ribes nigrum essential oil

Compound Image


2D Structure

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(External database - ChemAxon)