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HCID 78365Erstellt: 26. Oktober 2026
Methylcyclopentancarboxylat
NSC 87553 · RARECHEM AL BF 0721 · Methyl cyclopentanate · cyclopentylmethyl formate · METHYL CYCLOPENTANECARBOXYLATE · Methyl Cylcopentanecarboxylate · MethylCyclopentanecarboxylate>Cyclopentanoic acid methyl ester · Methyl cyclopentanecarboxylate-98%
https://huagongshe.com/de/chemical/78365
Identifikatoren & physikalische Daten
| CAS No. | 4630-80-2 |
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| Summenformel | C7H12O2 |
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| Durchschnittliche Molmasse | 128,17 g/mol |
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| Monoisotopische Masse | 128,08372962 g/mol |
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| SMILES | COC(=O)C1CCCC1 |
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| InChIKey | IIHIJFJSXPDTNO-UHFFFAOYSA-N |
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| PubChem CID | 78365 |
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| EC No. | 225-049-7 |
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| DTXSID | DTXSID50196806 |
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| Lokaler Name | Methylcyclopentancarboxylat |
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Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
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| Polarare Oberfläche (TPSA) | 26,3 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 9 |
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| Formalladung | 0 |
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| Komplexität | 103 |
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| Schmelzpunkt | 77-78℃ |
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| Siedepunkt | 81-82°C 5mm |
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| Dichte | 1.014 |
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| Brechungsindex | 1.4360 |
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| Flammpunkt | 81-82°C/5mm |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | Difficult to mix. |
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| Aggregatzustand | clear liquid |
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| Farbe | Colorless to Almost colorless |
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| BRN | 2040762 |
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| InChI | InChI=1S/C7H12O2/c1-9-7(8)6-4-2-3-5-6/h6H,2-5H2,1H3 |
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| InChIKey | IIHIJFJSXPDTNO-UHFFFAOYSA-N |
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| SMILES | C1(C(OC)=O)CCCC1 |
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| CAS Datenbank | 4630-80-2(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (97.6%) |
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| UN-Transportnummer | UN 3272 3/PG III |
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| Zollcode | 2916200090 |
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| Sicherheitshinweise (S) | 24/25 |
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| Gefahrenklasse | IRRITANT |
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| Verpackungsgruppe | III |
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