pimpinellin
Bezeichnung:pimpinellin
CAS-Nr131-12-4
Englisch Name:pimpinellin
CBNumberCB21331714
SummenformelC13H10O5
Molgewicht246.22
MOL-Datei131-12-4.mol
pimpinellin physikalisch-chemischer Eigenschaften
| Schmelzpunkt | 119° |
| Siedepunkt | 441.0±45.0 °C(Predicted) |
| Dichte | 1.352±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| Löslichkeit | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. |
| Aggregatzustand | powder |
| Farbe | Yellow |
| InChI | InChI=1S/C13H10O5/c1-15-11-7-3-4-9(14)18-10(7)8-5-6-17-12(8)13(11)16-2/h3-6H,1-2H3 |
| InChIKey | BQPRWZCEKZLBHL-UHFFFAOYSA-N |
| SMILES | C1(=O)OC2C3C=COC=3C(OC)=C(OC)C=2C=C1 |
| LogP | 1.477 (est) |
| WGK Germany | WGK 3 |
| Speicherklasse | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 2 Dermal Acute Tox. 2 Inhalation Acute Tox. 2 Oral |
| Giftige Stoffe Daten | 131-12-4(Hazardous Substances Data) |
