Pubchem ID | 121596001 |
---|---|
CAS | 1323-75-7 |
IUPAC name | [(E)-2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enyl] 2-phenylacetate |
Synonyms | Santalyl phenylacetate|Santalol, benzeneacetate|Santalylphenylacetat|antalyl phenylacetate|Santalol phenylacetate|Santalyl alpha-toluate|Santalol, phenylacetate|Santalyl phenyl acetate |
Categories | Flavor enhancer |
SMILES | CC(=CCCC1(C2CCC(C2)C1=C)C)COC(=O)CC3=CC=CC=C3 |
InCheykey | InChI=1S/C23H30O2/c1-17(16-25-22(24)14-19-9-5-4-6-10-19)8-7-13-23(3)18(2)20-11-12-21(23)15-20/h4-6,8-10,20-21H,2,7,11-16H2,1,3H3/b17-8+ |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
338.491 | 0 | 2 | 8 | 26.3 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Very Low Solubility | Binder | Very High | Non - Inhibitor | Non Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Non-Irritant | Degradable |