HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 96216Erstellt: 27. Oktober 2026
Cyclopent-2-enylessigsure
2-cyclopentene-1-acetic · Cyclopentene-3-acetic acid · 2-Cyclopenteneacetic acid. · cyclopent-2-enylacetic acid · Cyclopentene-3-ylacetic acid · (2-Cyclopentenyl)acetic acid · 2-CYCLOPENTENE-1-ACETIC ACID · 2-Cyclopenten-1-ylacetic acid
https://huagongshe.com/de/chemical/96216
Identifikatoren & physikalische Daten
| CAS No. | 13668-61-6 |
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| Summenformel | C7H10O2 |
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| Durchschnittliche Molmasse | 126,15 g/mol |
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| Monoisotopische Masse | 126,06807956 g/mol |
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| SMILES | O=C(O)CC1C=CCC1 |
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| InChIKey | NNRZTJAACCRFRV-UHFFFAOYSA-N |
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| PubChem CID | 96216 |
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| ChEBI | CHEBI:176857 |
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| EC No. | 237-146-1 |
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| DTXSID | DTXSID00864427 |
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| Lokaler Name | Cyclopent-2-enylessigsure |
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Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
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| Polarare Oberfläche (TPSA) | 37,3 |
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| H-Brücken-Donoren | 1 |
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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 | 138 |
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| Schmelzpunkt | 19 °C(lit.) |
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| Siedepunkt | 93-94 °C2.5 mm Hg(lit.) |
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| Dichte | 1.047 g/mL at 25 °C(lit.) |
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| Brechungsindex | n20/D 1.468(lit.) |
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| Flammpunkt | >230 °F |
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| Lagerbedingungen | Store at room temperature |
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| pKa (Säurekonstante) | 4.61±0.10(Predicted) |
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| Aggregatzustand | liquid |
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| BRN | 2042172 |
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| Stabilität | Stable. Incompatible with bases, oxidizing agents, reducing agents. |
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| InChI | 1S/C7H10O2/c8-7(9)5-6-3-1-2-4-6/h1,3,6H,2,4-5H2,(H,8,9) |
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| InChIKey | NNRZTJAACCRFRV-UHFFFAOYSA-N |
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| SMILES | OC(=O)CC1CCC=C1 |
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| CAS Datenbank | 13668-61-6 |
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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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: 2-Cyclopentene-1-acetic acid2-Cyclopentene-1-acetic acid: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-37/39 |
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| Lagerklasse | 10 - Combustible liquids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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