Identifikatoren & physikalische Daten
| CAS No. | 19043-02-8 |
|---|
| Summenformel | C7H14O |
|---|
| Durchschnittliche Molmasse | 114,19 g/mol |
|---|
| Monoisotopische Masse | 114,10446507 g/mol |
|---|
| SMILES | C[C@H]1CCCC[C@H]1O |
|---|
| InChIKey | NDVWOBYBJYUSMF-NKWVEPMBSA-N |
|---|
| PubChem CID | 24006 |
|---|
| EC No. | 231-187-9 |
|---|
| DTXSID | DTXSID701032695 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|
| Polarare Oberfläche (TPSA) | 20,2 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 1 |
|---|
| Frei drehbare Bindungen | 0 |
|---|
| Schwere Atome | 8 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 70,8 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH332: Harmful if inhaled [Warning Acute toxicity, inhalation]P261, P271, P304+P340, and P317 (click each P-code to see the statement)H226 (14.8%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement) |
|---|
| Hazard Classes and Categories | Flam. Liq. 3 (14.8%)Flam. Liq. 3 (100%)Acute toxicity - category 4Acute Tox. 4 * |
|---|
