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2-Benzotriazol-2-yl-4,6-di-tert-butylphenol
2-benzotriazol-2-yl-4,6-di-tert-butylphenol · HDBB · 4,6-Di-tert-butyl-2-(2H-benzotriazole-2-yl)phenol · UV Absorber 320 · Ultraviolet absorbent UV-320 · 2-(2-HYDROXY-3,5-DI-TERT-BUTYLPHENYL)BENZOTRIAZOLE · 2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4,6-di-tert-butylphenol · 2-(2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)-Phenol
Identifikatoren & physikalische Daten
| CAS No. | 3846-71-7 |
|---|---|
| Summenformel | C20H25N3O |
| Durchschnittliche Molmasse | 323,4 g/mol |
| Monoisotopische Masse | 323,19976243 g/mol |
| SMILES | CC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1 |
| InChIKey | LHPPDQUVECZQSW-UHFFFAOYSA-N |
| PubChem CID | 77455 |
| EC No. | 223-346-6 |
| DTXSID | DTXSID4052059 |
| Lokaler Name | 2-Benzotriazol-2-yl-4,6-di-tert-butylphenol |
Chemische & physikalische Eigenschaften
| XLogP | 7,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 50,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 425 |
| Collision Cross Section | 192.5 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID4052059]186.0 Ų [M]+ [CCS Type: DTIonization: APCI+ |
| Schmelzpunkt | 152-154°C |
| Siedepunkt | 444.0±55.0 °C(Predicted) |
| Dichte | 1.10±0.1 g/cm3(Predicted) |
| Flammpunkt | 215°C |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 9.41±0.48(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| InChI | InChI=1S/C20H25N3O/c1-19(2,3)13-11-14(20(4,5)6)18(24)17(12-13)23-21-15-9-7-8-10-16(15)22-23/h7-12,24H,1-6H3 |
| InChIKey | LHPPDQUVECZQSW-UHFFFAOYSA-N |
| SMILES | C1(O)=C(C(C)(C)C)C=C(C(C)(C)C)C=C1N1N=C2C=CC=CC2=N1 |
| CAS Datenbank | 3846-71-7(CAS DataBase Reference) |
| EPA chemische Informationen | Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)- (3846-71-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.8% (1 of 133) of reports.WarningH351 (85%): Suspected of causing cancer [Warning Carcinogenicity]H373 (98.5%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]H412 (99.2%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P203, P260, P273, P280, P318, P319, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 133 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 133 reports by companies.There are 7 notifications provided by 132 of 133 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)-Hazard Traits - BioaccumulationEnvironmental PersistenceAuthoritative List - EC PBTsReport - if used as a fragrance or flavor ingredientSubstance: 2-benzotriazol-2-yl-4,6-di-tert-butylphenol (UV-320)EC: 223-346-6Date of inclusion: >17-Dec-2014Reason for inclusion: PBT (Article 57d)vPvB (Article 57e)Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Phenolic benzotriazoles: Environment tier II assessmentIMAP assessments - Hindered phenolic benzotriazoles: Human health tier II assessment |
| Hazard Classes and Categories | Carc. 2 (85%)STOT RE 2 (98.5%)Aquatic Chronic 3 (99.2%)Specific target organ toxicity (repeated exposure) - category 2Specific target organ toxicity - Repeated exposure - Category 1 (heart, liver, kidney, blood system) |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3077 |
| R-Sätze (R) | 48/22-52/53 |
| Sicherheitshinweise (S) | 26-36/37/39 |
Anwendungen & Verwendung
Verwenden
UV-320 is a benzotriazole UV stabilizer, which is used to increase product stability and to prevent discolouration in various consumer and industrial goods such as plastics. Benzotriazole UV stabilizers are a pollutant for the aquatic environment and have been implicated as a potential stable and toxic ligands for aryl hydrocarbon receptor in human.