O-Cymene Details

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Physical and Chemical properties

PUBCHEM ID	10703
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	134.22
Molecular Formula	C10H14
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
IUPAC Name	1-methyl-2-propan-2-ylbenzene
Canonical SMILES	CC1=CC=CC=C1C(C)C
PUBCHEM IUPAC INCHIKEY	WWRCMNKATXZARA-UHFFFAOYSA-N
Solubility Level	In water, 23.3 mg/L at 25 °C
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA	10.1
CACTVS TPSA	0
BBB Level	0
Absorption Level	0
EXT PPB#Prediction	1
AlogP98	3.51
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	Non-Mutagen
Developmental / Reproductive Toxicity
Rat Oral LD50	0.593886 g/kg_body_weight
Ocular Irritancy	Mild
Hepatotoxic#Prediction	0
Effected Human Genes

Ecological Information

Aerobic Biodegradability Prediction

Non-Degradable

Hazard(s) Identification

Physical hazards	not classified
Health hazards
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-microbial	63	https://www.sciencedirect.com/science/article/pii/S0964830520310696		O-Cymene

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	fools watercress		Apium nodiflorum Essentail oil
2	Thymus schimperi		Thymus schimperi essential oil