ISONONYL ISONONANOATE CAS#: 59219-71-5; ChemWhat Code: 879594
Identification
| Product Name | ISONONYL ISONONANOATE |
| IUPAC Name | 3,5,5-trimethylhexyl 3,5,5-trimethylhexanoate |
| Molecular Structure |  |
| CAS Registry Number | 59219-71-5 |
| EINECS Number | 261-665-2 |
| Synonyms | 3,5,5-Trimethylhexyl 3,5,5-trimethylhexanoate 59219-71-5 Tegosoft Ini Dermol 99 Hexanoic acid, 3,5,5-trimethyl-, 3,5,5-trimethylhexyl ester Hatcol 5131 S4V5BS6GCX Isononanoic acid, isononyl ester 3,5,5-Trimethylhexyl-3,5,5-trimethylhexanoate 3 5 5-TRIMETHYLHEXYL 3 5 5-TRIMETHYL- EINECS 261-665-2 UNII-S4V5BS6GCX SALACOS 99 LANOL 99 SCHEMBL579240 3,5,5-Trimethyl-1-hexyl 3,5,5-trimethylhexanoate KAK 99 3,5,5-trimethylhexanoic acid 3,5,5-trimethylhexyl ester DTXSID80866747 Isononyl 3,5,5 trimethylhexanoate ISONONYL ISONONANOATE [INCI] AKOS015902988 ISONONYL ISONONANOATE [WHO-DD] NS00013782 EC 609-993-0 A832937 J-200154 Q27288595 3,5,5-trimethylhexanoic acid-3,5,5-trimethylhexyl ester |
| Molecular Formula | C18H36O2 |
| Molecular Weight | 284.5 |
| InChI | InChI=1S/C18H36O2/c1-14(12-17(3,4)5)9-10-20-16(19)11-15(2)13-18(6,7)8/h14-15H,9-13H2,1-8H3 |
| InChI Key | UIVPNOBLHXUKDX-UHFFFAOYSA-N |
| Isomeric SMILES | CC(CCOC(=O)CC(C)CC(C)(C)C)CC(C)(C)C |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| US6248339 | Fragrant body lotion and cream | 2001 |
Physical Data
| Appearance | Colorless or light yellow transparent oily liquid |
| Boiling Point, °C | Pressure (Boiling Point), Torr |
| 130 | 3 |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts, Spectrum | 1H | cchloroform-d1 | 400 |
| Chemical shifts, Spectrum | 13C | chloroform-d1 | 100 |
Route of Synthesis (ROS)
| Conditions | Yield |
| With bis(1,5-cyclooctadiene)nickel(0); 1,3-bis-(2,6-diisopropylphenyl)-4,5-dichloroimidazol-2-ylidene In toluene at 23 – 60℃; Tishchenko reaction; Inert atmosphere; | 96% |
Safety and Hazards
No data available
Other Data
| HS Code | |
| Storage | Under the room temperature and away from light |
| Shelf Life | 1 year |
| Market Price |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 284.483 |
| logP | 7.933 |
| HBA | 2 |
| HBD | 0 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 26.3 |
| Rotatable Bond (RotB) | 10 |
| Matching Veber Rules | 2 |
| Use Pattern |
| ISONONYL ISONONANOATE CAS#: 59219-71-5 is a low-viscosity oil ester with a special oil effect. It can form a hydrophobic film on the skin surface to prevent the natural evaporation of water, making the skin smooth, soft, fresh and non-greasy. It has extremely high solubility in silicone oil, and colloidal silicone oil is also soluble, which can solve the problem of low-temperature precipitation of silicone oil, and is very stable in formulas containing silicone oil. In addition, it also has good dispersion properties for colored materials. Widely used and in high demand. |
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