HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Cyclopentylpropionsure
3-CYCLOPENTYLPROPANOIC ACID · Cypionic acid · AKOS BBS-00003802 · 3-Cyclopentylpropion · Cyclopentylpropionic acid · cyclopentanepropanoicacid · 3-cyclopentylpropionicaci · CYCLOPENTANEPROPIONIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 140-77-2 |
|---|---|
| Summenformel | C8H14O2 |
| Durchschnittliche Molmasse | 142,2 g/mol |
| Monoisotopische Masse | 142,09937969 g/mol |
| SMILES | O=C(O)CCC1CCCC1 |
| InChIKey | ZRPLANDPDWYOMZ-UHFFFAOYSA-N |
| PubChem CID | 8818 |
| ChEMBL | CHEMBL1230184 |
| ChEBI | CHEBI:50899 |
| EC No. | 205-433-0 |
| DTXSID | DTXSID4059700 |
| Lokaler Name | 3-Cyclopentylpropionsure |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 114 |
| Schmelzpunkt | - |
| Siedepunkt | 130-132 °C/12 mmHg (lit.) |
| Dichte | 0.996 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.457(lit.) |
| Flammpunkt | 116 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)insoluble |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 4.81±0.10(Predicted) |
| Farbe | Clear colorless to yellow |
| InChI | InChI=1S/C8H14O2/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2,(H,9,10) |
| InChIKey | ZRPLANDPDWYOMZ-UHFFFAOYSA-N |
| SMILES | C1(CCC(O)=O)CCCC1 |
| CAS Datenbank | 140-77-2(CAS DataBase Reference) |
| NIST chemische Informationen | Cyclopentanepropanoic acid(140-77-2) |
| EPA chemische Informationen | Cyclopentanepropanoic acid (140-77-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 16-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/33677 |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29162090 |
| R-Sätze (R) | 10-36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 16-26-36-24/25 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
3-Cyclopentylpropionic acid can be used as an organic building blocks in the synthesis of variety of pharmaceutical compound. It is used for the synthesis of Testosterone Cypionate (T155100).