HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
cyclopentylessigsaeure
2-cyclopentylacetate · Cyclopentyacetic acid · Cyclopentylacetic acid · cycylopentylacetic acid · CYCLOPENTANEACETIC ACID · 2-Cyclopentaneacetic acid · Cyclopentylacetic acid 97% · Cyclopentylacetic Acid >(Carboxymethyl)cyclopentane
Identifikatoren & physikalische Daten
| CAS No. | 1123-00-8 |
|---|---|
| Summenformel | C7H12O2 |
| Durchschnittliche Molmasse | 128,17 g/mol |
| Monoisotopische Masse | 128,08372962 g/mol |
| SMILES | O=C(O)CC1CCCC1 |
| InChIKey | YVHAIVPPUIZFBA-UHFFFAOYSA-N |
| PubChem CID | 71606 |
| ChEBI | CHEBI:167737 |
| EC No. | 214-368-7 |
| DTXSID | DTXSID30149976 |
| Lokaler Name | cyclopentylessigsaeure |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 103 |
| Schmelzpunkt | 12-14°C |
| Siedepunkt | 133-134 °C/23 mmHg (lit.) |
| Dichte | 1.022 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.453(lit.) |
| Flammpunkt | 229 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Chloroform, Methanol |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 4.85±0.10(Predicted) |
| Farbe | Clear colorless |
| BRN | 2040821 |
| InChI | InChI=1S/C7H12O2/c8-7(9)5-6-3-1-2-4-6/h6H,1-5H2,(H,8,9) |
| InChIKey | YVHAIVPPUIZFBA-UHFFFAOYSA-N |
| SMILES | C1(CC(O)=O)CCCC1 |
| CAS Datenbank | 1123-00-8(CAS DataBase Reference) |
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 73 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3334 |
| Zollcode | 29162090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Cyclopentylacetic acid has been used in a study to examine the butylation efficiency of free carboxylic acids.