Ultraviolet Absorbent UV-360 CAS#: 103597-45-1; ChemWhat Code: 50778
Identification
| Product Name | Ultraviolet Absorbent UV-360 |
| IUPAC Name | 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenoll |
| Molecular Structure |  |
| CAS Registry Number | 103597-45-1 |
| EINECS Number | 403-800-1 |
| MDL Number | MFCD01103222 |
| Beilstein Registry Number | No data available |
| Synonyms | methylene bis-benzotriazolyl tetramethylbutylphenol, 2,2′-methylene-bis-(6-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-phenol), 2,2′-methylene-bis-(6-(2H-benzotriazole-2-yl)-4-(1,1,3,3-tetramethylbutyl)-phenol), 2,2’-methylene bis[6-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol], 2,2′-methylene bis[6-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol], 2,2′-methylenebis-(6-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl))phenol, 2,2′-methylenebis[6-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol] |
| Molecular Formula | C69H48N4O8 |
| Molecular Weight | 1061.141 |
| InChI | InChI=1S/C69H48N4O8/c70-41-57(61(49-25-9-1-10-26-49)50-27-11-2-12-28-50)65(74)78-45-69(46-79-66(75)58(42-71)62(51-29-13-3-14-30-51)52-31-15-4-16-32-52,47-80-67(76)59(43-72)63(53-33-17-5-18-34-53)54-35-19-6-20-36-54)48-81-68(77)60(44-73)64(55-37-21-7-22-38-55)56-39-23-8-24-40-56/h1-40H,45-48H2 |
| InChI Key | CVSXFBFIOUYODT-UHFFFAOYSA-N |
| Canonical SMILES | c1ccc(cc1)C(=C(C#N)C(=O)OCC(COC(=O)C(=C(c2ccccc2)c3ccccc3)C#N)(COC(=O)C(=C(c4ccccc4)c5ccccc5)C#N)COC(=O)C(=C(c6ccccc6)c7ccccc7)C#N)c8ccccc8 |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| US2015/64224 | Use of Certain Water-Insoluble Porous Polymeric Particles in Spherical Form as SPF Boosters | 2015 |
| US5843339 | Phosphites and their production and use | 1998 |
| US2004/151673 | Nonaerosol/aerosol dispensing of sunscreen sprays comprising silica microparticles | 2004 |
Physical Data
| Appearance | Light yellow powder |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
| Melting Point, °C | Solvent (Melting Point) |
| 197 – 198 | |
| 199 – 200 | Methanol |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts, Spectrum | 1H | chloroform-d1 | 500 |
| Chemical shifts, Spectrum | 13C | chloroform-d1 | 126 |
| Chemical shifts, Spectrum | 1H | chloroform-d1 | 500 |
| Chemical shifts, Spectrum | 13C | chloroform-d1 | 126 |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) |
| Bands, Spectrum |
| Description (Mass Spectrometry) | Comment (Mass Spectrometry) |
| Molecular peak |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Absorption Maxima (UV/VIS), nm | Ext./Abs. Coefficient, l·mol-1cm-1 |
| Spectrum | ethanol | 345, 305 | |
| Spectrum | 1,4-dioxane | 348, 305 | |
| Spectrum | water | ||
| 358 |
Route of Synthesis (ROS)
| Conditions | Yield |
| With tetrabutylammomium bromide; sodium hydroxide In neat (no solvent) at 130℃; under 100 Torr; for 2h; Temperature; | 80.9% |
| With sodium hydroxide at 120 – 160℃; under 100 Torr; for 4h; Time; | 70.3% |
Safety and Hazards
| GHS Hazard Statements | H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P273, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | No data available |
| Storage | Under the room temperature and away from light |
| Shelf Life | 2 years |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 658.887 |
| logP | 15.451 |
| HBA | 6 |
| HBD | 2 |
| Matching Lipinski Rules | 2 |
| Veber rules component | |
| Polar Surface Area (PSA) | 101.88 |
| Rotatable Bond (RotB) | 10 |
| Matching Veber Rules | 2 |
| Use Pattern |
| Ultraviolet Absorbent UV-360 CAS#: 103597-45-1 Cosmetics/dental/toilet |
| Ultraviolet Absorbent UV-360 CAS#: 103597-45-1 facilitate the washability of a sunscreen or daily care composition from textiles |
| Ultraviolet Absorbent UV-360 CAS#: 103597-45-1 in combination with 2,4,6-tris(biphenyl-4-yl)-1,3,5-triazine |
| Ultraviolet Absorbent UV-360 CAS#: 103597-45-1 reduce fabric staining of a sunscreen or daily care composition |
| organic particulate UV filter in daily care composition in combination with hexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate and 1-(4-(1,1-dimethylethyl)phenyl)-3-(4-methoxyphenyl)propane-1,3-dione |
| in combination with benzotriazole derivative |
| UV screening agent |
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Approved Manufacturers | |
| Warshel Chemical Ltd | http://www.warshel.com/ |
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