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HCID 70825Erstellt: 27. Oktober 2026
3,5-Di-tert-butylphenol
3,5-Di-t-butylphenol · LABOTEST-BB LT00053483 · 3,5-Di-tert-butylphenol · Phenol, 3,5-bis(t-butyl) · Phenol, 3,5-di-tert-butyl- · 3,5-bis(1,1-dimethylethyl)phenol · 3,5-bis(1,1-dimethylethyl)-pheno · C12254800 3,5-Di-tert-butylphenol
https://huagongshe.com/de/chemical/70825
Identifikatoren & physikalische Daten
| CAS No. | 1138-52-9 |
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| Summenformel | C14H22O |
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| Durchschnittliche Molmasse | 206,32 g/mol |
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| Monoisotopische Masse | 206,16706532 g/mol |
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| SMILES | CC(C)(C)c1cc(O)cc(C(C)(C)C)c1 |
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| InChIKey | ZDWSNKPLZUXBPE-UHFFFAOYSA-N |
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| PubChem CID | 70825 |
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| ChEMBL | CHEMBL321841 |
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| EC No. | 214-513-4 |
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| DTXSID | DTXSID3061558 |
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| Lokaler Name | 3,5-Di-tert-butylphenol |
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Chemische & physikalische Eigenschaften
| XLogP | 4,9 |
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| Polarare Oberfläche (TPSA) | 20,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 184 |
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| Stoffklassen | Other Classes -> Phenols |
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| SpringerMaterials Properties | Boiling point |
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| Endocrine Disruptors | Potential endocrine disrupting compound |
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| Physical Description | Solid[Matrix Scientific MSDS] |
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| Schmelzpunkt | 87-89 °C(lit.) |
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| Siedepunkt | 281.58°C (estimate) |
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| Dichte | 0.9389 (estimate) |
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| Brechungsindex | 1.5073 (estimate) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 10.21±0.10(Predicted) |
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| Farbe | Pale Brown to Light Brown |
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| Stabilität | Stable. Incompatible with bases, acid chlorides, acid anhydrides, oxidizing agents, brass, steel, copper, copper alloys. |
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| InChI | InChI=1S/C14H22O/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9,15H,1-6H3 |
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| InChIKey | ZDWSNKPLZUXBPE-UHFFFAOYSA-N |
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| SMILES | C1(O)=CC(C(C)(C)C)=CC(C(C)(C)C)=C1 |
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| LogP (Verteilungskoeffizient) | 4.640 |
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| CAS Datenbank | 1138-52-9(CAS DataBase Reference) |
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| EPA chemische Informationen | 3,5-Di-tert-butylphenol (1138-52-9) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.3% (1 of 43) of reports.DangerH314 (93%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. |
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| Gefahrenübersicht | Causes changes in liver weight in 7-day constant oral studies of rats[RTECS] An irritant[Matrix Scientific MSDS] See 2-tert-Butylphenol. |
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| Hazard Classes and Categories | Skin Corr. 1B (93%) |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | 3077 |
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| R-Sätze (R) | 34-41 |
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| Gefahrensymbole | C |
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| Sicherheitshinweise (S) | 26-36/37/39-45 |
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| Gefahrenklasse | 9 |
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| Verpackungsgruppe | III |
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