p-Benzoquinone Details

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Physical and Chemical properties

PUBCHEM ID	4650
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	108.09
Molecular Formula	" C6H4O2"
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
IUPAC Name	cyclohexa-2,5-diene-1,4-dione
Canonical SMILES	C1=CC(=O)C=CC1=O
PUBCHEM IUPAC INCHIKEY	AZQWKYJCGOJGHM-UHFFFAOYSA-N
Solubility Level	4
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA	0.2
CACTVS TPSA	" 34.1 Ų"
BBB Level	2
Absorption Level	0
EXT PPB#Prediction	FALSE
AlogP98	0.688
EXT CYP2D6#Prediction	FALSE

Toxicological Information

Mouse Female FDA	Multi-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Multi-Carcinogen
Rat Male FDA	Multi-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Non-Toxic
Rat Oral LD50	0.749629 g/kg_body_weight
Ocular Irritancy	Severe
Hepatotoxic#Prediction	TRUE
Effected Human Genes

Ecological Information

Aerobic Biodegradability Prediction

Degradable

Hazard(s) Identification

Physical hazards	not classified
Health hazards	Mild
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	Anti-inflammatory	15	32348217		p-Benzoquinone
2	Antioxidant	38	32348217		p-Benzoquinone

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	West-Indian Woodnettle		Laportea aestuans essential oil