Diisophoronphenylacetat
(5,5,9,11,11-pentamethyl-3-oxo-1-tricyclo[7.3.1.02,7]tridec-2(7)-enyl) 2-phenylacetate
Also Known As: Diisophoronphenylacetat|(5,5,9,11,11-Pentamethyl-3-oxo-1-tricyclo[7.3.1.02,7]tridec-2(7)-enyl) 2-phenylacetate|2,2,7,7,9-Pentamethyl-4-oxo-2,3,4,6,7,8,9,10-octahydro-5,9-methanobenzo[8]annulen-5(1H)-yl phenylacetate
CAS: 42301-67-7
| Molecular Formula | C26H34O3 |
|---|---|
| Molecular Weight | 394.2508 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.2508 |
| Monoisotopic Mass | 394.2508 |
| Heavy Atoms | 29 |
| Complexity | 737.0 |
Chemical Identifiers
| CAS Number | 42301-67-7 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C3(CC(CC(C2)(C3)C)(C)C)OC(=O)CC4=CC=CC=C4)C |
| InChIKey | KREFNVCDNHSHTF-UHFFFAOYSA-N |
Product Overview
Diisophoronphenylacetat (CAS 42301-67-7), with molecular formula C26H34O3 and molecular weight 394.2508 g/mol. IUPAC: (5,5,9,11,11-pentamethyl-3-oxo-1-tricyclo[7.3.1.02,7]tridec-2(7)-enyl) 2-phenylacetate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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