Benzene Details

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Physical and Chemical properties

PUBCHEM ID	241
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	78.1118
Molecular Formula	C6H6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
IUPAC Name	benzene
Canonical SMILES	c1ccccc1
PUBCHEM IUPAC INCHIKEY	UHOVQNZJYSORNB-UHFFFAOYSA-N
Solubility Level	3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA	0
BBB Level	1
Absorption Level	1
EXT PPB#Prediction	1
AlogP98	1.83
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Multi-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Multi-Carcinogen
Rat Male FDA	Multi-Carcinogen
Ames Prediction	Mutagen
Developmental / Reproductive Toxicity	Non-Toxic
Rat Oral LD50	2.26129 g/kg_body_weight
Ocular Irritancy	Mild
Hepatotoxic#Prediction	1
Effected Human Genes

Ecological Information

Aerobic Biodegradability Prediction

Non-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				71-43-2	Benzene

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Mulethi	Mishri	Glucyrrhiza glabra mulethi