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HCID 81009Erstellt: 27. Oktober 2026
Isopentyl-4-hydroxybenzoat
ISOAMYLPARABEN · Einecs 229-409-4 · Fasudil Impurity 57 · ISOAMYL 4-HYDROXYBENZOATE · Isoamyl p-hydroxybenzoate · ISOPENTYL P-HYDROXYBENZOATE · isopentyl 4-hydroxybenzoate · Isopentyl p-Hydroxyenzoate
https://huagongshe.com/de/chemical/81009
Identifikatoren & physikalische Daten
| CAS No. | 6521-30-8 |
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| Summenformel | C12H16O3 |
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| Durchschnittliche Molmasse | 208,25 g/mol |
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| Monoisotopische Masse | 208,10994437 g/mol |
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| SMILES | CC(C)CCOC(=O)c1ccc(O)cc1 |
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| InChIKey | KSHVDKDQYBNSAN-UHFFFAOYSA-N |
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| PubChem CID | 81009 |
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| EC No. | 229-409-4 |
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| DTXSID | DTXSID4064397 |
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| Lokaler Name | Isopentyl-4-hydroxybenzoat |
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Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
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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 | 5 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 193 |
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| Endocrine Disruptors | Potential endocrine disrupting compound |
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| Schmelzpunkt | 62 °C |
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| Siedepunkt | 242 °C |
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| Dichte | 1.083±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 8.22±0.15(Predicted) |
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| Farbe | White to Almost white |
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| CAS Datenbank | 6521-30-8 |
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| EPA chemische Informationen | Benzoic acid, 4-hydroxy-, 3-methylbutyl ester (6521-30-8) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 2918.29.7500 |
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