HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 95084Erstellt: 3. November 2026
4-Oxopimelsaeure
4-oxoheptanedioic acid · 4-Ketopimelic · 4-OXOPIMELIC ACID · G-KETOPIMELIC ACID · 4-Ketopimelic acid · 4-Ketopimelic acid,98% · gamma-Ketopimelic acid · 4-KETOPIMELIC ACID 98%
https://huagongshe.com/de/chemical/95084
Identifikatoren & physikalische Daten
| CAS No. | 502-50-1 |
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| Summenformel | C7H10O5 |
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| Durchschnittliche Molmasse | 174,15 g/mol |
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| Monoisotopische Masse | 174,05282342 g/mol |
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| SMILES | O=C(O)CCC(=O)CCC(=O)O |
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| InChIKey | UDDSEESQRGPVIL-UHFFFAOYSA-N |
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| PubChem CID | 95084 |
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| EC No. | 207-941-8 |
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| DTXSID | DTXSID40198238 |
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| Lokaler Name | 4-Oxopimelsaeure |
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Chemische & physikalische Eigenschaften
| XLogP | -1,2 |
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| Polarare Oberfläche (TPSA) | 91,7 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 176 |
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| Schmelzpunkt | 142-144 °C (lit.) |
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| Siedepunkt | 225.11°C (rough estimate) |
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| Dichte | 1.2311 (rough estimate) |
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| Brechungsindex | 1.4400 (estimate) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | Powder, Crystals and/or Chunks |
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| pKa (Säurekonstante) | 4.34±0.17(Predicted) |
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| Farbe | White to yellow |
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| BRN | 1708385 |
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| InChI | InChI=1S/C7H10O5/c8-5(1-3-6(9)10)2-4-7(11)12/h1-4H2,(H,9,10)(H,11,12) |
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| InChIKey | UDDSEESQRGPVIL-UHFFFAOYSA-N |
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| SMILES | C(O)(=O)CCC(=O)CCC(O)=O |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29183000 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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