Phenyl Ethyl Alcohol Details

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Physical and Chemical properties

PUBCHEM ID	72303
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	266.334
Molecular Formula	C18H18O2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
IUPAC Name	2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
Canonical SMILES	C=CCc2ccc(O)c(c1ccc(O)c(CC=C)c1)c2
PUBCHEM IUPAC INCHIKEY	FVYXIJYOAGAUQK-UHFFFAOYSA-N
Solubility Level	2
Vapour Pressure	-7.321

Absorption and Metabolism information

XLOGP3 AA	5
CACTVS TPSA	40.5
BBB Level	1
Absorption Level	0
EXT PPB#Prediction	1
AlogP98	4.88
EXT CYP2D6#Prediction	1

Toxicological Information

Mouse Female FDA	Non-Carcinogen
Mouse Male FDA	Non-Carcinogen
Rat Female FDA	Non-Carcinogen
Rat Male FDA	Non-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Toxic
Rat Oral LD50	0.788782 g/kg_body_weight
Ocular Irritancy	Mild
Hepatotoxic#Prediction	1
Effected Human Genes

Ecological Information

Aerobic Biodegradability Prediction

Non-Degradable

Hazard(s) Identification

Physical hazards	not classified
Health hazards	None
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				35354-74-6	Phenyl Ethyl Alcohol

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Rose, Damask Rose	Noorjahan	Rosa damascena Noorjahan essential oil
2	Rose, Damask Rose	Ranisahiba	Rose Ranisahiba essential oil