Benzo-1,3-dioxol-5-essigsure
Bezeichnung:Benzo-1,3-dioxol-5-essigsure
CAS-Nr2861-28-1
Englisch Name:3,4-(METHYLENEDIOXY)PHENYLACETIC ACID
CBNumberCB7310605
SummenformelC9H8O4
Molgewicht180.16
MOL-Datei2861-28-1.mol
Synonyma
Benzo-1,3-dioxol-5-essigsure
Benzo-1,3-dioxol-5-essigsure physikalisch-chemischer Eigenschaften
| Schmelzpunkt | 125-129 °C(lit.) |
| Siedepunkt | 272.96°C (rough estimate) |
| Dichte | 1.2933 (rough estimate) |
| Brechungsindex | 1.4500 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Micro-Crystalline Powder |
| pka | 4.31±0.10(Predicted) |
| Farbe | Beite to pale yellow |
| Wasserlöslichkeit | Soluble in water (partly), ethanol, and methanol. |
| BRN | 177739 |
| InChI | InChI=1S/C9H8O4/c10-9(11)4-6-1-2-7-8(3-6)13-5-12-7/h1-3H,4-5H2,(H,10,11) |
| InChIKey | ODVLMCWNGKLROU-UHFFFAOYSA-N |
| SMILES | O1C2=CC=C(CC(O)=O)C=C2OC1 |
| CAS Datenbank | 2861-28-1(CAS DataBase Reference) |
| Kennzeichnung gefährlicher | Xi |
| R-Sätze: | 36/37/38 |
| S-Sätze: | 26-36 |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 29163990 |
| Speicherklasse | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
