Food Additive Profile
Pubchem ID 6557
CAS 9006-04-6
IUPAC name 2-methylbuta-1,3-diene
Synonyms Isopentadiene|2-Methylbuta-1,3-diene|1,3-Butadiene, 2-methyl-|2-Methylbutadiene|2-Methyldivinyl|beta-Methylbivinyl|isopreno|isoterpene
Categories Masticatory substance
SMILES CC(=C)C=C
InCheykey InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
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
68.119 0 0 1 0.0

*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 Optimal Solubility Weaker / Non binder High Non - Inhibitor Toxic

*Prediction Method

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

References




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