Pubchem ID | 7896 |
---|---|
CAS | 107-88-0 |
IUPAC name | butane-1,3-diol |
Synonyms | - |
Categories | Flavor enhancer |
SMILES | CC(CCO)O |
InCheykey | InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3 |
Natural | YES |
E No. | - |
GHS Siginal | Warning |
ADI Value | 0-4 mg/kg bw |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
90.122 | 2 | 2 | 2 | 40.5 |
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 | Low | Non - Inhibitor | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |