AromaDb: A Database of Plant's Aroma Molecules

Ethyl Tetradecanoate Details

: IUPAC Name
ethyl tetradecanoate
:Chemical Class
:CAS Registry Number
124-06-1
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID31283
Molecular Weight (mg/mol)256.424
Molecular FormulaC16H32O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
IUPAC Nameethyl tetradecanoate
Canonical SMILESCCCCCCCCCCCCCC(=O)OCC
PUBCHEM IUPAC INCHIKEYMMKRHZKQPFCLLS-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure-3.822

Absorption and Metabolism information

XLOGP3 AA6.7
CACTVS TPSA26.3
BBB Level0
Absorption Level1
EXT PPB#Prediction1
AlogP986.054
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 LD5019.6193 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
1 124-06-1 AR Homo sapiens ethyl myristate binds to and results in decreased activity of AR protein affects^binding|decreases^activity 27633901
2 124-06-1 ESR1 Homo sapiens ethyl myristate binds to and results in decreased activity of ESR1 protein affects^binding|decreases^activity 27633901
3 124-06-1 ESR2 Homo sapiens ethyl myristate binds to and results in decreased activity of ESR2 protein affects^binding|decreases^activity 27633901
4 124-06-1 NR3C1 Homo sapiens ethyl myristate binds to and results in decreased activity of NR3C1 protein affects^binding|decreases^activity 27633901
5 124-06-1 PGR Homo sapiens ethyl myristate binds to and results in decreased activity of PGR protein affects^binding|decreases^activity 27633901
6 124-06-1 PPARG Homo sapiens ethyl myristate binds to and results in decreased activity of PPARG protein affects^binding|decreases^activity 27633901
7 124-06-1 THRB Homo sapiens ethyl myristate binds to and results in decreased activity of THRB protein affects^binding|decreases^activity 27633901
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 124-06-1 Ethyl Tetradecanoate

Compound Image


2D Structure

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(External database - ChemAxon)