Pubchem ID | 31276 |
---|---|
CAS | 123-92-2 |
IUPAC name | 3-methylbutyl acetate |
Synonyms | -3-Methylbutyl acetate|Isopentyl acetate|Isopentyl ethanoate|Isoamyl ethanoate|3-Methylbutyl ethanoate|Iso-amyl acetate|3-Methyl-1-butyl acetate|I-Amyl acetate|3-Methyl-1-butanol acetate|Isopentyl alcohol, acetate|Amylacetic ester |
Categories | Flavor enhancer |
SMILES | CC(C)CCOC(=O)C |
InCheykey | InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
130.187 | 0 | 2 | 4 | 26.3 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Optimal Solubility | Weaker / Non binder | Medium | Non - Inhibitor | Non Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |