AromaDb: A Database of Plant's Aroma Molecules

Methyl Pentadecanoate Details

: IUPAC Name
methyl pentadecanoate
:Chemical Class
:CAS Registry Number
7132-64-1
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID23518
Molecular Weight (mg/mol)256.424
Molecular FormulaC16H32O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
IUPAC Namemethyl pentadecanoate
Canonical SMILESCCCCCCCCCCCCCCC(=O)OC
PUBCHEM IUPAC INCHIKEYXIUXKAZJZFLLDQ-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure-3.867

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA26.3
BBB Level0
Absorption Level1
EXT PPB#Prediction1
AlogP986.162
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 LD5011.9085 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 7132-64-1
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 7132-64-1 Methyl Pentadecanoate

Compound Image


2D Structure

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