(E)-Cinnamyl Acetate Details

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Physical and Chemical properties

PUBCHEM ID	5282110
Molecular Weight (g/mol)	176.212
Molecular Formula	C11H12O2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
IUPAC Name	[(E)-3-phenylprop-2-enyl] acetate
Canonical SMILES	CC(=O)OC/C=C/c1ccccc1
PUBCHEM IUPAC INCHIKEY	WJSDHUCWMSHDCR-VMPITWQZSA-N
Solubility Level	3
Vapour Pressure	-2.218

Absorption and Metabolism information

XLOGP3 AA	2.3
CACTVS TPSA	26.3
BBB Level	1
Absorption Level	0
EXT PPB#Prediction	1
AlogP98	2.072
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Non-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Non-Carcinogen
Rat Male FDA	Single-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Toxic
Rat Oral LD50	2.12587 g/kg_body_weight
Ocular Irritancy	None
Hepatotoxic#Prediction	0
Effected Human Genes	AKR1A1, ADH1A

Ecological Information

Aerobic Biodegradability Prediction

Degradable

Hazard(s) Identification

Physical hazards	not classified
Health hazards	Mild
Environmental hazards	not classified

About Table Headings

Compound Biological Activity

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Holy basil		Ocimum tenuiflorum essential oil
2	Cananga tree or Ylang-ylang		Cananga odorata essential oil