4-Methylsalicylaldehyde

Food Additive Profile
Pubchem ID 61200
CAS 698-27-1
IUPAC name 2-hydroxy-4-methylbenzaldehyde
Synonyms -
Categories Flavor enhancer
SMILES CC1=CC(=C(C=C1)C=O)O
InCheykey InChI=1S/C8H8O2/c1-6-2-3-7(5-9)8(10)4-6/h2-5,10H,1H3
Natural nan
E No. -
GHS Siginal -
ADI Value -
Download 3D Conformer :
SDF JSON

                    

Physicochemical Properties
Molecular weight Hydrogen Bond Donor count Hydrogen Bond Acceptor count Rotatable bonds Topological Polor Surface Area
136.15 1 2 1 37.3

*Prediction Method

ADME Predicted Parameters
Human Intestinal Absorption Aqueous Solubility Level Plasma Protein Binding Level Blood Brain Barrier Penetration CYP2DE Binding Level Hepatotoxicity Level
Good Absorption Optimal Solubility Binder Medium Non - Inhibitor Non Toxic

*Prediction Method

Toxicity Predicted Parameters
Carcinogenicity Developmental Toxicity Mutagenicity (Ames) Skin Irritancy Skin Sensitization Ocular Irritancy Aerobic Biodegradability
Non-Carcinogen Toxic Non-Mutagen Non-Irritant Irritant Irritant Non-Degradable

References

External Links
Resources
  1. PubChem
  2. FDA U.S.Food & Drug Administration



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