(E)-2-Hexenal Details

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Physical and Chemical properties

PUBCHEM ID	10460
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	98.143
Molecular Formula	C6H10O
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
IUPAC Name	hex-2-enal
Canonical SMILES	CCC/C=C/C=O
PUBCHEM IUPAC INCHIKEY	MBDOYVRWFFCFHM-UHFFFAOYSA-N
Solubility Level	4
Vapour Pressure	1.209

Absorption and Metabolism information

XLOGP3 AA	1.5
CACTVS TPSA	17.1
BBB Level	1
Absorption Level	0
EXT PPB#Prediction	0
AlogP98	1.829
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	2.17178 g/kg_body_weight
Ocular Irritancy	Severe
Hepatotoxic#Prediction	0
Effected Human Genes

Ecological Information

Aerobic Biodegradability Prediction

Degradable

Hazard(s) Identification

Physical hazards	not classified
Health hazards	Moderate
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	Anti-fungal	24		505-57-7	(E)-2-Hexenal

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Starflower		Borago officinalis essential oil
2	Languas galanga		Alpinia galanga
3	Sweet violet		Viola odorata essential oil
4	Snowbell		styrax officinalis essential oil
5	Welsh onion		Allium fistulosum essential oil