Octanoic Acid Details

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Physical and Chemical properties

PUBCHEM ID	379
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	144.211
Molecular Formula	C8H16O2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
IUPAC Name	octanoic acid
Canonical SMILES	CCCCCCCC(=O)O
PUBCHEM IUPAC INCHIKEY	WWZKQHOCKIZLMA-UHFFFAOYSA-N
Solubility Level	4
Vapour Pressure	-2.313

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA	37.3
BBB Level	1
Absorption Level	0
EXT PPB#Prediction	1
AlogP98	2.743
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Non-Carcinogen
Mouse Male FDA	Single-Carcinogen
Rat Female FDA	Non-Carcinogen
Rat Male FDA	Non-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Non-Toxic
Rat Oral LD50	2.68448 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				124-07-2	Octanoic Acid

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Scotch spearmint	MCAS-2	Mentha X gracilis MCAS-2 essential oil
2	Garden heliotrope		Galium odoratum essential oil
3	Wild carrot		Daucus carota essential oil