Pubchem ID | 8052 |
---|---|
CAS | 110-45-2 |
IUPAC name | 3-methylbutyl formate |
Synonyms | 3-Methylbutyl formate|Isoamyl methanoate|Isopentyl methanoate|Isopentyl alcohol, formate|Formic acid, isopentyl ester|1-Butanol, 3-methyl-, formate|3-Methyl-1-butyl formate|FEMA No. 2069 |
Categories | Flavor enhancer |
SMILES | CC(C)CCOC=O |
InCheykey | InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
116.16 | 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 | Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |