p-Cymene Details

---

Physical and Chemical properties

PUBCHEM ID	7463
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	134.222
Molecular Formula	C10H14
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
IUPAC Name
Canonical SMILES	Cc1ccc(C(C)C)cc1
PUBCHEM IUPAC INCHIKEY	HFPZCAJZSCWRBC-UHFFFAOYSA-N
Solubility Level	3
Vapour Pressure	0.055

Absorption and Metabolism information

XLOGP3 AA	NA
CACTVS TPSA	26.3
BBB Level	0
Absorption Level	0
EXT PPB#Prediction	1
AlogP98	3.51
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Non-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Non-Carcinogen
Rat Male FDA	Multi-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Non-Toxic
Rat Oral LD50	1.43138
Ocular Irritancy	None
Hepatotoxic#Prediction	1
Effected Human Genes	NA

Ecological Information

Aerobic Biodegradability Prediction

Non-Degradable

Hazard(s) Identification

Physical hazards	not classified
Health hazards	Severe
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				99-87-6	p-Cymene

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Thymus kotschyanus		Thymus kotschyanus essential oil
2	Thymus eriocalyx		Thymus eriocalyx essential oil
3	turnip-rooted chervil		Chaerophyllum bulbosum essential oil
4	Schisandra chinensis		Schisandra chinensis essential oil