HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 23019Erstellt: 26. Oktober 2026
Pentyl-4-hydroxybenzoat
Amylparaben · N-AMYLPARABEN · Pentyl paraben · amyl4-hydroxybenzoate · Amyl 4-hydroxybenzoate · AMYL-P-HYDROXYBENZOATE · PENTYL 4-HYDROXYBENZOATE · N-AMYL 4-HYDROXYBENZOATE
https://huagongshe.com/de/chemical/23019
Identifikatoren & physikalische Daten
| CAS No. | 6521-29-5 |
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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 | CCCCCOC(=O)c1ccc(O)cc1 |
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| InChIKey | ZNSSPLQZSUWFJT-UHFFFAOYSA-N |
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| PubChem CID | 23019 |
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| ChEMBL | CHEMBL3183634 |
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| EC No. | 229-408-9 |
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| DTXSID | DTXSID9047887 |
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| Lokaler Name | Pentyl-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 | 6 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 183 |
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| LogP (Verteilungskoeffizient) | 3.65 |
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| Endocrine Disruptors | Potential endocrine disrupting compound |
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| Schmelzpunkt | 37-38°C |
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| Siedepunkt | 197-200°C 10mm |
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| Dichte | 1.085±0.06 g/cm3(Predicted) |
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| Flammpunkt | 197-200°C/10mm |
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| Lagerbedingungen | Sealed in dry,2-8°C |
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| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)Insoluble in water. Slightly soluble in chloroform, methanol. |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 8.22±0.15(Predicted) |
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| Farbe | Off-White to Light Beige |
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| BRN | 2722438 |
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| Kosmetik-Inhaltsstoffe Funktionen | PRESERVATIVE |
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| CAS Datenbank | 6521-29-5(CAS DataBase Reference) |
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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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| Zollcode | 29182900 |
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| RTECS-Nr. | DH2555000 |
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| R-Sätze (R) | 36/38-43 |
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| Sicherheitshinweise (S) | 24/25-26-36/37/39 |
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