Ultraviolet absorber UV-329 CAS#:3147-75-9; ChemWhat Code: 50783
Identification
| Product Name | Ultraviolet absorber UV-329 |
| IUPAC Name | 2-(benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol |
| Molecular Structure |  |
| CAS Registry Number | 3147-75-9 |
| EINECS Number | 221-573-5 |
| MDL Number | MFCD00013338 |
| Beilstein Registry Number | No data available |
| Synonyms | Cyasorb UV 5411, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol |
| Molecular Formula | C20H25N3O |
| Molecular Weight | 323.43 |
| InChI | InChI=1S/C20H25N3O/c1-19(2,3)13-20(4,5)14-10-11-18(24)17(12-14)23-21-15-8-6-7-9-16(15)22-23/h6-12,24H,13H2,1-5H3 |
| InChI Key | IYAZLDLPUNDVAG-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)(C)CC(C)(C)c1ccc(c(c1)n2nc3ccccc3n2)O |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| US2019/107647 | OPTICAL MATERIAL COMPRISING A RED-SHIFTED BENZOTRIAZOLE UV ABSORBER | 2019 |
| CN108148009 | A transfer method using catalytic preparation of benzo triazole ultraviolet ray absorbing agent (by machine translation) | 2018 |
| WO2013/188490 | STABILIZER COMPOSITIONS CONTAINING SUBSTITUTED CHROMAN COMPOUNDS AND METHODS OF USE | 2013 |
| US5843339 | Phosphites and their production and use | 1998 |
Physical Data
| Appearance | White 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) |
| 102 – 106 | |
| 103 – 105 | |
| 104 – 105 |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Temperature (NMR Spectroscopy), °C |
| Chemical shifts, Spectrum | 1H | ||
| Chemical shifts | 1H | CDCl3 | |
| Chemical shifts | 1H | CDCl3 | 37 |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) |
| Bands, Spectrum |
| Description (Mass Spectrometry) |
| electrospray ionisation (ESI), spectrum |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Absorption Maxima (UV/VIS), nm | Log epsilon |
| Spectrum | dichloromethane | ||
| Spectrum | dichloromethane | 339.5 | 0.281 |
| 340 |
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
| Pictogram(s) |   |
| Signal | Warning |
| GHS Hazard Statements | H315 (27.85%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (27.85%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (27.59%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H410 (14.43%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H412 (38.73%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H413 (19.24%): 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 | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classificationpage.) |
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 | 323.438 |
| logP | 7.859 |
| HBA | 3 |
| HBD | 1 |
| Matching Lipinski Rules | 3 |
| Veber rules component | |
| Polar Surface Area (PSA) | 50.94 |
| Rotatable Bond (RotB) | 4 |
| Matching Veber Rules | 2 |
| Use Pattern |
| Ultraviolet absorber UV-329 CAS#:3147-75-9 Polymers/polymer applications |
| Ultraviolet absorber UV-329 CAS#:3147-75-9 light stabilizer |
| Ultraviolet absorber UV-329 CAS#:3147-75-9 UV absorbing additive |
| Ultraviolet absorber UV-329 CAS#:3147-75-9 ultraviolet stabilizer of dental material |
| UV-stabilizer |
| Co-stabilizer |
| useful as UV absorbing and light stabilizing additive in plastic films and fibers |
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Approved Manufacturers | |
| Warshel Chemical Ltd | http://www.warshel.com/ |
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