HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 13033439Erstellt: 27. Oktober 2026
Methyl 3-cyclopentylpropanoate
Androstandionic Impurity 2 · Methyl cyclopentanepropanoate · METHYL 3-CYCLOPENTYLPROPANOATE · Cyclopentanepropionic acid methyl ester · Cyclopentanepropanoic acid methyl ester
https://huagongshe.com/de/chemical/13033439
Identifikatoren & physikalische Daten
| CAS No. | 4300-02-1 |
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| Summenformel | C9H16O2 |
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| Durchschnittliche Molmasse | 156,22 g/mol |
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| Monoisotopische Masse | 156,11502975 g/mol |
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| SMILES | COC(=O)CCC1CCCC1 |
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| InChIKey | FGPDDJMBTHHHRK-UHFFFAOYSA-N |
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| PubChem CID | 13033439 |
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| EC No. | 968-567-5 |
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| DTXSID | DTXSID90515855 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
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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 | 4 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 126 |
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| Siedepunkt | 90-92 °C |
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| Dichte | 0.959±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Store at Room Tem. |
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| Aggregatzustand | liquid |
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| Farbe | Brown |
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| InChI | 1S/C9H16O2/c1-11-9(10)7-6-8-4-2-3-5-8/h8H,2-7H2,1H3 |
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| InChIKey | FGPDDJMBTHHHRK-UHFFFAOYSA-N |
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| SMILES | O=C(OC)CCC1CCCC1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH227 (50%): Combustible liquid [Warning Flammable liquids]P210, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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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| Hazard Classes and Categories | Flam. Liq. 4 (50%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Zollcode | 2916200090 |
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| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
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| Gefahrenklasse | Acute Tox. 3 Oral |
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