HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 117640Erstellt: 27. Oktober 2026
tert-Butyl-4-hydroxybenzoat
tert-Butyl p-hydroxybenzoate · tert-butyl 4-hydroxybenzoate · 1,1-Dimethylethyl 4-hydroxybenzoate · p-Hydroxybenzoic acid tert-butyl ester · 4-Hydroxy-benzoic acid tert-butyl ester · 4-Hydroxybenzoic acid 1,1-dimethylethyl ester · Benzoic acid, 4-hydroxy-, 1,1-diMethylethyl ester
https://huagongshe.com/de/chemical/117640
Identifikatoren & physikalische Daten
| CAS No. | 25804-49-3 |
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| Summenformel | C11H14O3 |
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| Durchschnittliche Molmasse | 194,23 g/mol |
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| Monoisotopische Masse | 194,09429431 g/mol |
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| SMILES | CC(C)(C)OC(=O)c1ccc(O)cc1 |
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| InChIKey | WHWMOMRHHQLBQQ-UHFFFAOYSA-N |
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| PubChem CID | 117640 |
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| ChEMBL | CHEMBL3185248 |
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| EC No. | 247-272-9 |
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| DTXSID | DTXSID7044895 |
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| Lokaler Name | tert-Butyl-4-hydroxybenzoat |
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Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
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| Polarare Oberfläche (TPSA) | 46,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 197 |
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| Endocrine Disruptors | Potential endocrine disrupting compound |
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| Collision Cross Section | 148.2 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID7044895] |
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| Schmelzpunkt | 130-132 °C(Solv: ethyl ether (60-29-7)ligroine (8032-32-4)) |
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| Siedepunkt | 295.6±13.0 °C(Predicted) |
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| Dichte | 1.107±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 8.25±0.15(Predicted) |
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| Farbe | White |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (93.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (93.8%) |
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| Zollcode | 2918290090 |
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