2-phenyl ethanol Details

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Physical and Chemical properties

PUBCHEM ID	6054
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	122.164
Molecular Formula	C8H10O
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
IUPAC Name	2-phenylethanol
Canonical SMILES	OCCc1ccccc1
PUBCHEM IUPAC INCHIKEY	WRMNZCZEMHIOCP-UHFFFAOYSA-N
Solubility Level	4
Vapour Pressure	-1.283

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA	20.2
BBB Level	2
Absorption Level	0
EXT PPB#Prediction	1
AlogP98	1.546
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Multi-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	2.17279 g/kg_body_weight
Ocular Irritancy	Severe
Hepatotoxic#Prediction	0
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				60-12-8	2-phenyl ethanol

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Horsechestnut		Aesculus hippocastanum essential oil
2	Star Thistle Honey		Centaurea calcitrapa essential oil
3	Star Thistle Honey		Centaurea calcitrapa essential oil