Tetradecanal Details

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Physical and Chemical properties

PUBCHEM ID	31291
Molecular Weight (g/mol)	212.372
Molecular Formula	C14H28O
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	12
IUPAC Name	tetradecanal
Canonical SMILES	CCCCCCCCCCCCCC=O
PUBCHEM IUPAC INCHIKEY	UHUFTBALEZWWIH-UHFFFAOYSA-N
Solubility Level	2
Vapour Pressure	-2.706

Absorption and Metabolism information

XLOGP3 AA	6
CACTVS TPSA	17.1
BBB Level	0
Absorption Level	0
EXT PPB#Prediction	1
AlogP98	5.502
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	7.36285 g/kg_body_weight
Ocular Irritancy	None
Hepatotoxic#Prediction	0
Effected Human Genes	ALDH8A1,ALDH1A2,PYGM,FAR2,FAR1,AWAT2,AGPS,AWAT1,GPR183,ALDH2,SLC6A2,IL6,STAT3,PTK2,PIK3CG,NFKBIA,OPRL1,MAPK3,CSN2

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

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Periwinkle, Sadabahar, Sadafuli	Dhawal	Catharanthus roseus dhawal essential oil