Food Additive Profile
Pubchem ID 3255932
CAS 54193-36-1
IUPAC name sodium;2-methylprop-2-enoate
Synonyms -
Categories Boiler water additive
SMILES CC(=C)C(=O)[O-].[Na+]
InCheykey InChI=1S/C4H6O2.Na/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);/q;+1/p-1
Natural nan
E No. -
GHS Siginal -
ADI Value -

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Physicochemical Properties
Molecular weight Hydrogen Bond Donor count Hydrogen Bond Acceptor count Rotatable bonds Topological Polor Surface Area
108.072 0 2 1 40.1

*Prediction Method

ADME Predicted Parameters
Human Intestinal Absorption Aqueous Solubility Level Plasma Protein Binding Level Blood Brain Barrier Penetration CYP2DE Binding Level Hepatotoxicity Level
Moderate Absorption Too Soluble Weaker / Non binder Undefined Non - Inhibitor Non Toxic

*Prediction Method

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

References




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