HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 18840Erstellt: 27. Oktober 2026
Cyclopentancarbonsure
CYCLOPENTYLCARBOXYLIC ACID · Cyclopentanecarboxyl · NSC 59714 · Carboxycyclopentane · RARECHEM AL BO 0294 · Cyclopentyl formic acid · Cyclopentancarboxylicacid · CYCLOPENTYLMETHANOIC ACID
https://huagongshe.com/de/chemical/18840
Identifikatoren & physikalische Daten
| CAS No. | 3400-45-1 |
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| Summenformel | C6H10O2 |
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| Durchschnittliche Molmasse | 114,14 g/mol |
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| Monoisotopische Masse | 114,06807956 g/mol |
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| SMILES | O=C(O)C1CCCC1 |
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| InChIKey | JBDSSBMEKXHSJF-UHFFFAOYSA-N |
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| PubChem CID | 18840 |
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| ChEMBL | CHEMBL1902018 |
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| ChEBI | CHEBI:230335 |
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| EC No. | 222-269-5 |
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| DTXSID | DTXSID70187610 |
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| Lokaler Name | Cyclopentancarbonsure |
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Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
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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 | 1 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 92,7 |
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| Kosmetika | Surfactant |
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| SpringerMaterials Properties | Diamagnetic susceptibility |
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| LogP (Verteilungskoeffizient) | 1.52 |
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| Schmelzpunkt | 3-5 °C(lit.) |
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| Siedepunkt | 216 °C(lit.) |
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| Dichte | 1.053 g/mL at 25 °C(lit.) |
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| Brechungsindex | n20/D 1.453(lit.) |
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| Flammpunkt | 201 °F |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Löslichkeit | Chloroform, Ethyl AcetateSOLUBLE |
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| Aggregatzustand | Liquid |
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| pKa (Säurekonstante) | 4.99(at 25℃) |
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| Farbe | Clear colorless to yellow |
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| BRN | 2039729 |
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| Kosmetik-Inhaltsstoffe Funktionen | SURFACTANT - CLEANSING |
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| InChI | 1S/C6H10O2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H,7,8) |
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| InChIKey | JBDSSBMEKXHSJF-UHFFFAOYSA-N |
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| SMILES | OC(=O)C1CCCC1 |
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| LogP (Verteilungskoeffizient) | 1.210 (est) |
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| CAS Datenbank | 3400-45-1(CAS DataBase Reference) |
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| NIST chemische Informationen | cyclopentane carboxylic acid(3400-45-1) |
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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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Cyclopentanecarboxylic 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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| UN-Transportnummer | 3265 |
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| Zollcode | 29162000 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-37/39-36 |
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| Gefahrenklasse | CBL |
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| Lagerklasse | 10 - Combustible liquids |
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