2,4-Dimethyl-1-Heptanol Details

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Physical and Chemical properties

PUBCHEM ID	549992
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	172.308
Molecular Formula	C11H24O
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
IUPAC Name	2,4-diethylheptan-1-ol
Canonical SMILES	CCCC(CC)CC(CC)CO
PUBCHEM IUPAC INCHIKEY	MPSSVYBWYAOYHH-UHFFFAOYSA-N
Solubility Level	3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA	4
CACTVS TPSA	20.2
BBB Level	1
Absorption Level	0
EXT PPB#Prediction	0
AlogP98	3.822
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Multi-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Single-Carcinogen
Rat Male FDA	Non-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Non-Toxic
Rat Oral LD50	3.35093 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					2,4-Dimethyl-1-Heptanol

Plant Variety and Essential oils

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