HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 88467Erstellt: 27. Oktober 2026
Methylhydrogenheptan-1,7-dioat
Pimelic acid 1-methyl ester · Heptanedioic acid 1-methyl ester · methyl hydrogen heptane-1,7-dioate · Heptanedioic acid, monomethyl ester · Pimelic acid hydrogen 1-methyl ester · Pimelic acid 1-hydrogen 7-methyl ester
https://huagongshe.com/de/chemical/88467
Identifikatoren & physikalische Daten
| CAS No. | 20291-40-1 |
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| Summenformel | C8H14O4 |
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| Durchschnittliche Molmasse | 174,19 g/mol |
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| Monoisotopische Masse | 174,08920893 g/mol |
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| SMILES | COC(=O)CCCCCC(=O)O |
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| InChIKey | YOLQOHRXBGFZED-UHFFFAOYSA-N |
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| PubChem CID | 88467 |
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| EC No. | 243-693-7 |
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| DTXSID | DTXSID70174166 |
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| Lokaler Name | Methylhydrogenheptan-1,7-dioat |
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Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
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| Polarare Oberfläche (TPSA) | 63,6 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 7 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 153 |
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| Schmelzpunkt | 5 °C |
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| Siedepunkt | 128 °C(Press: 16 Torr) |
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| Dichte | 1.0383 g/cm3 |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | 4.72±0.10(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Methyl hydrogen heptane-1,7-dioate: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Acute Tox. 4 (50%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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