2-Amylfuran Details

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Physical and Chemical properties

PUBCHEM ID	19602
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	138.207
Molecular Formula	C9H14O
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
IUPAC Name	2-pentylfuran
Canonical SMILES	CCCCCc1ccco1
PUBCHEM IUPAC INCHIKEY	YVBAUDVGOFCUSG-UHFFFAOYSA-N
Solubility Level	3
Vapour Pressure	-0.581

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA	13.1
BBB Level	1
Absorption Level	0
EXT PPB#Prediction	1
AlogP98	3.114
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Single-Carcinogen
Mouse Male FDA	Single-Carcinogen
Rat Female FDA	Single-Carcinogen
Rat Male FDA	Single-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Toxic
Rat Oral LD50	3.45073 g/kg_body_weight
Ocular Irritancy	Severe
Hepatotoxic#Prediction	1
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				3777-69-3	2-Amylfuran

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Psyllium, isabgol or isabhghula	Niharika	Plantago ovata Niharika essential oil
2	Psyllium, isabgol or isabhghula	Mayuri	Plantago ovata Mayuri
3	Psyllium, isabgol or isabhghula	Nimisha	Plantago ovata Nimisha essential oil