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2-(2H-Benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol
OCTRIZOLE · TINUVIN 329 · 2-(2H-BENZOTRIAZOL-2-YL)-4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOL · LABOTEST-BB LT00053579 · Ultraviolet absorbent UV-329 · 2-(2-Hydroxy-5-t-octylphenyl)benzotriazole · 2-(2-HYDROXY-5-TERT-OCTYLPHENYL)BENZOTRIAZOLE · UV-329
Identifikatoren & physikalische Daten
| CAS No. | 3147-75-9 |
|---|---|
| Summenformel | C20H25N3O |
| Durchschnittliche Molmasse | 323,4 g/mol |
| Monoisotopische Masse | 323,19976242 g/mol |
| SMILES | CC(C)(C)CC(C)(C)c1ccc(O)c(-n2nc3ccccc3n2)c1 |
| InChIKey | IYAZLDLPUNDVAG-UHFFFAOYSA-N |
| PubChem CID | 62485 |
| ChEMBL | CHEMBL1886986 |
| EC No. | 221-573-5 |
| DTXSID | DTXSID9027522 |
| Lokaler Name | 2-(2H-Benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol |
Chemische & physikalische Eigenschaften
| XLogP | 7,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 50,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 417 |
| Stoffklassen | UV filter |
| Polymers | Plastics -> Light stabilisersPlastics -> PCPlastics -> Other functions -> Other stabiliser |
| Kosmetika | Uv absorber |
| Duftstoffe | Fragrance Ingredient (2-(2 Hydroxy-5-tert-oxyphenyl) benzotriazole) -> IFRA transparency List |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | Other SolidDry PowderCBILarge Crystals |
| Collision Cross Section | 190.0 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID9027522] |
| Schmelzpunkt | 106-108 °C(lit.) |
| Siedepunkt | 471.8±55.0 °C(Predicted) |
| Dichte | 1.10±0.1 g/cm3(Predicted) |
| Dampfdruck | 0Pa at 20℃ |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)2μg/L at 20℃ |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 8.07±0.45(Predicted) |
| Farbe | White to Off-White |
| Kosmetik-Inhaltsstoffe Funktionen | LIGHT STABILIZER |
| 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 |
| InChIKey | IYAZLDLPUNDVAG-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=C(C(C)(C)CC(C)(C)C)C=C1N1N=C2C=CC=CC2=N1 |
| LogP (Verteilungskoeffizient) | 7.290 (est) |
| CAS Datenbank | 3147-75-9(CAS DataBase Reference) |
| EPA chemische Informationen | Octrizole (3147-75-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 56.8% (407 of 717) of all reports.WarningH315 (15.3%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 717 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-Hazard Traits - BioaccumulationEnvironmental PersistencePhenol, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 13-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13220Substance: 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol (UV-329)Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Phenolic benzotriazoles: Environment tier II assessment |
| Hazard Classes and Categories | Skin Irrit. 2 (15.3%) |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2933997500 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
Anwendungen & Verwendung
Beschreibung
The ultraviolet absorber UV-329 is a highly effective anti-aging additive with excellent performance. It is soluble in benzene, styrene Chemicalbook, dichloromethane and cyclohexane, slightly soluble in alcohols, insoluble in water; it can effectively absorb 270- 380 nanometer ultraviolet light; non-flammable, non-explosive, non-toxic, safe and harmless to use.
Verwenden
Ultraviolet screen.