(E)-Anethole Details

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Physical and Chemical properties

PUBCHEM ID	637563
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	148.202
Molecular Formula	C10H12O
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
IUPAC Name	1-methoxy-4-[(E)-prop-1-enyl]benzene
Canonical SMILES	C/C=C/c1ccc(OC)cc1
PUBCHEM IUPAC INCHIKEY	RUVINXPYWBROJD-ONEGZZNKSA-N
Solubility Level	3
Vapour Pressure	-1.339

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA	9.2
BBB Level	1
Absorption Level	0
EXT PPB#Prediction	1
AlogP98	2.767
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Non-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Multi-Carcinogen
Rat Male FDA	Single-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Toxic
Rat Oral LD50	0.80984 g/kg_body_weight
Ocular Irritancy	Mild
Hepatotoxic#Prediction	0
Effected Human Genes	JUNMAOB

Ecological Information

Aerobic Biodegradability Prediction

Degradable

Hazard(s) Identification

Physical hazards	not classified
Health hazards	Moderate
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		4180-23-8	(E)-Anethole

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Fennel, Saunf	CIM-sujal	Foeniculum vulgare CIM-Sujal
2	American wild mint		Mentha essential canadensis essential oil
3	Roth		Limnophila rugosa essential oil
4	Lemon verbena		Aloysia citrodora essential oil
5	Dracocephalum moldavica		NA
6	Pitanga		Eugenia uniflora essential oil