Undecanal Details

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Physical and Chemical properties

PUBCHEM ID	8186
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	170.297
Molecular Formula	C11H22O
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
IUPAC Name	Undecanal
Canonical SMILES	CCCCCCCCCCC=O
PUBCHEM IUPAC INCHIKEY	KMPQYAYAQWNLME-UHFFFAOYSA-N
Solubility Level	3
Vapour Pressure	-1.378

Absorption and Metabolism information

XLOGP3 AA	NA
CACTVS TPSA	26.3
BBB Level	0
Absorption Level	0
EXT PPB#Prediction	1
AlogP98	4.133
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Non-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	4.89962
Ocular Irritancy	None
Hepatotoxic#Prediction	0
Effected Human Genes	NA

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				112-44-7	Undecanal

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Snowbell		styrax officinalis essential oil