Benzyl Benzoate Details

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Physical and Chemical properties

PUBCHEM ID	2345
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	212.244
Molecular Formula	C14H12O2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
IUPAC Name	benzyl benzoate
Canonical SMILES	O=C(OCc1ccccc1)c2ccccc2
PUBCHEM IUPAC INCHIKEY	SESFRYSPDFLNCH-UHFFFAOYSA-N
Solubility Level	3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA	26.3
BBB Level	1
Absorption Level	0
EXT PPB#Prediction	1
AlogP98	3.268
EXT CYP2D6#Prediction	1

Toxicological Information

Mouse Female FDA	Non-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Non-Carcinogen
Rat Male FDA	Non-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Non-Toxic
Rat Oral LD50	3.29264 g/kg_body_weight
Ocular Irritancy	None
Hepatotoxic#Prediction	0
Effected Human Genes

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

Serial No.	Activity Name	Details	References (PubMed)	Other details EPA (U.S)	Clinical Trials (U.S. NIH)
1				120-51-4	Benzyl Benzoate

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Blackcurrant		Ribes nigrum essential oil
2	Cananga tree or Ylang-ylang		Cananga odorata essential oil
3	Frangipani		Plumeria obtusa essential oil
4	Frangipani		Plumeria obtusa essential oil