(Z)-3-Hexenol Details

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Physical and Chemical properties

PUBCHEM ID	5281167
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	100.159
Molecular Formula	C6H12O
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
IUPAC Name	(Z)-hex-3-en-1-ol
Canonical SMILES	CC/C=C/CCO
PUBCHEM IUPAC INCHIKEY	UFLHIIWVXFIJGU-ARJAWSKDSA-N
Solubility Level	4
Vapour Pressure	-0.427

Absorption and Metabolism information

XLOGP3 AA	1.3
CACTVS TPSA	20.2
BBB Level	2
Absorption Level	0
EXT PPB#Prediction	0
AlogP98	1.438
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Multi-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Multi-Carcinogen
Rat Male FDA	Multi-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Toxic
Rat Oral LD50	3.63231 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				928-96-1	(Z)-3-Hexenol

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Chamomile, German chamomile, Gule-babuna	CIM-Sammohak	Chamomila recutita essential oil
2	Chamomile, German chamomile, Gule-babuna	CIM-Sammohak	Chamomila recutita essential oil
3	Spearmint	Arka	Mentha spicata Arka
4	Holy basil		Ocimum tenuiflorum essential oil
5	Starflower		Borago officinalis essential oil
6	Clove basil, African basil		Ocimum gratissimum essential oil