AromaDb: A Database of Plant's Aroma Molecules

Tetradecane Details

: IUPAC Name
tetradecane
:Chemical Class
Alkane
:CAS Registry Number
629-59-4
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID 12389
CAS Registry Number 0.0
Aroma Threshold 0.0
Molecular Weight (g/mol) 198.388
Molecular Formula C14H30
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 11
IUPAC Name tetradecane
Canonical SMILES CCCCCCCCCCCCCC
PUBCHEM IUPAC INCHIKEY BGHCVCJVXZWKCC-UHFFFAOYSA-N
Solubility Level 2
Vapour Pressure -2.111

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA 0
BBB Level 0
Absorption Level 2
EXT PPB#Prediction 1
AlogP98 6.758
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 Toxic
Rat Oral LD50 8.41843 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 Severe
Environmental hazards not classified
About Table Headings

Compound Biological Activity

Serial No. Activity Name DetailsReferences (PubMed)Other details EPA (U.S) Clinical Trials (U.S. NIH)
1 629-59-4 Tetradecane

Compound Image


2D Structure

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