HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Cyclohexene-1-carboxylic acid
1-CYCLOHEXENECARBOXYLIC ACID · Cyclohexeneacid · RARECHEM AL BO 2318 · TIMTEC-BB SBB006589 · 1-cyclohexenecarboxylate · Cyclohexene-1-carboxylica · 1-cyclohexenecarboxyucacid · CYCLOHEX-1-ENECARBOXYLIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 636-82-8 |
|---|---|
| Summenformel | C7H10O2 |
| Durchschnittliche Molmasse | 126,15 g/mol |
| Monoisotopische Masse | 126,06807956 g/mol |
| SMILES | O=C(O)C1=CCCCC1 |
| InChIKey | NMEZJSDUZQOPFE-UHFFFAOYSA-N |
| PubChem CID | 69470 |
| ChEMBL | CHEMBL324173 |
| ChEBI | CHEBI:29565 |
| EC No. | 628-298-3 |
| DTXSID | DTXSID20212981 |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 147 |
| SpringerMaterials Properties | Optical coefficient |
| Schmelzpunkt | 35-39 °C(lit.) |
| Siedepunkt | 133-135 °C14 mm Hg(lit.) |
| Dichte | 1.101 g/mL at 25 °C(lit.) |
| Brechungsindex | 1.5 |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform, Methanol (Slightly)Soluble in water (0.7 g/L at 20°C). |
| Aggregatzustand | Crystalline Mass or Liquid |
| pKa (Säurekonstante) | 5.00±0.20(Predicted) |
| Farbe | White to light yellow |
| BRN | 1905520 |
| InChI | 1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h4H,1-3,5H2,(H,8,9) |
| InChIKey | NMEZJSDUZQOPFE-UHFFFAOYSA-N |
| SMILES | OC(=O)C1=CCCCC1 |
| CAS Datenbank | 636-82-8(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Cyclohexene-1-carboxylic acid(636-82-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (95.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (95.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3261 8/PG 3 |
| Zollcode | 29162090 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-27-36/37/39-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
1-Cyclohexene-1-carboxylic acid is an intermediate in benzoic acid anaerobic decomposition by methanogenic consortium.