Identifikatoren & physikalische Daten
| CAS No. | 55679-31-7 |
|---|
| Summenformel | C8H12O |
|---|
| Durchschnittliche Molmasse | 124,18 g/mol |
|---|
| Monoisotopische Masse | 124,088815 g/mol |
|---|
| SMILES | O=C1C2CCCC1CC2 |
|---|
| InChIKey | ZNSPMMFWDZEWQR-UHFFFAOYSA-N |
|---|
| PubChem CID | 143293 |
|---|
| EC No. | 848-104-2 |
|---|
| DTXSID | DTXSID80971027 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|
| Polarare Oberfläche (TPSA) | 17,1 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 1 |
|---|
| Frei drehbare Bindungen | 0 |
|---|
| Schwere Atome | 9 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 126 |
|---|
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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
|---|
