Ethyl Tetradecanoate Details

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Physical and Chemical properties

PUBCHEM ID	31283
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	256.424
Molecular Formula	C16H32O2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	14
IUPAC Name	ethyl tetradecanoate
Canonical SMILES	CCCCCCCCCCCCCC(=O)OCC
PUBCHEM IUPAC INCHIKEY	MMKRHZKQPFCLLS-UHFFFAOYSA-N
Solubility Level	2
Vapour Pressure	-3.822

Absorption and Metabolism information

XLOGP3 AA	6.7
CACTVS TPSA	26.3
BBB Level	0
Absorption Level	1
EXT PPB#Prediction	1
AlogP98	6.054
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Non-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Single-Carcinogen
Rat Male FDA	Non-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Non-Toxic
Rat Oral LD50	19.6193 g/kg_body_weight
Ocular Irritancy	None
Hepatotoxic#Prediction	0
Effected Human Genes

Ecological Information

Aerobic Biodegradability Prediction

Degradable

Hazard(s) Identification

Physical hazards	not classified
Health hazards	Moderate
Environmental hazards	not classified

About Table Headings

Compound Biological Activity

Serial No.	Activity Name	Details	References (PubMed)	Other details EPA (U.S)	Clinical Trials (U.S. NIH)
1				124-06-1	Ethyl Tetradecanoate

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Henna		Lawsonia inermis essential oil
2	Sitafal		Annona cherimola essential oil
3	Sitafal		Annona cherimola essential oil
4	Sitafal		Annona cherimola essential oil
5	Custard apple		Annona reticulata essential oil