Decanal Details

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Physical and Chemical properties

PUBCHEM ID	8175
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	156.27
Molecular Formula	C10H20O
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
IUPAC Name	Decanal
Canonical SMILES	CCCCCCCCCC=O
PUBCHEM IUPAC INCHIKEY	KSMVZQYAVGTKIV-UHFFFAOYSA-N
Solubility Level	3
Vapour Pressure	-0.862

Absorption and Metabolism information

XLOGP3 AA	NA
CACTVS TPSA	26.3
BBB Level	0
Absorption Level	0
EXT PPB#Prediction	1
AlogP98	3.677
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	4.22498
Ocular Irritancy	None
Hepatotoxic#Prediction	0
Effected Human Genes	NA

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				112-31-2	Decanal

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Aromita		Acacia caven essential oil
2	Star Thistle Honey		Centaurea calcitrapa essential oil
3	Star Thistle Honey		Centaurea calcitrapa essential oil
4	Coriandrum Sativum		Coriandrum sativum essential oil
5	Coriandrum Sativum		Coriandrum sativum essential oil