3-Nonanal Details

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Physical and Chemical properties

PUBCHEM ID	61235
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	142.239
Molecular Formula	C9H18O
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
IUPAC Name	nonan-3-one
Canonical SMILES	CCCCCCC(=O)CC
PUBCHEM IUPAC INCHIKEY	IYTXKIXETAELAV-UHFFFAOYSA-N
Solubility Level	3
Vapour Pressure	-0.361

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA	17.1
BBB Level	1
Absorption Level	0
EXT PPB#Prediction	1
AlogP98	3.054
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Non-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Non-Carcinogen
Rat Male FDA	Non-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Non-Toxic
Rat Oral LD50	3.68286 g/kg_body_weight
Ocular Irritancy	None
Hepatotoxic#Prediction	0
Effected Human Genes	ALDH7A1, PPIG, SLC6A4, CHRNA7, ADA, ECE1, SLC6A2, SLC6A3, JAK2, ADAM17, ITGAL, SLC18A2, SOD1, PIK3R1, PTPN3

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				925-78-0	3-Nonanal

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	American wild mint		Mentha essential canadensis essential oil