2,6-Dimethylnaphthalene Details

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Physical and Chemical properties

PUBCHEM ID	11387
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	156.22
Molecular Formula	C12H12
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
IUPAC Name	2,6-dimethylnaphthalene
Canonical SMILES	CC1=CC2=C(C=C1)C=C(C=C2)C
PUBCHEM IUPAC INCHIKEY	YGYNBBAUIYTWBF-UHFFFAOYSA-N
Solubility Level	2
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA	4.3
CACTVS TPSA	0
BBB Level	0
Absorption Level	0
EXT PPB#Prediction	TRUE
AlogP98	3.71
EXT CYP2D6#Prediction	FALSE

Toxicological Information

Mouse Female FDA	Non-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Multi-Carcinogen
Rat Male FDA	Single-Carcinogen
Ames Prediction	Mutagen
Developmental / Reproductive Toxicity	Non-Toxic
Rat Oral LD50	4.83574 g/kg_body_weight
Ocular Irritancy	Mild
Hepatotoxic#Prediction	TRUE
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)

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	turnip-rooted chervil		Chaerophyllum bulbosum essential oil