HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Chrysanthemsure
C09842 · Nsc11779 · chrysanthemicaci · Chrysanthemic Aid · chrysanthemumicacid · CIS/TRANS-CHRYSANTHEMIC ACID · CHRYSANTHEMUM MONOCARBOXYLIC ACID · chrysanthemummonocarboxylicacidmixedisomers
Identifikatoren & physikalische Daten
| CAS No. | 10453-89-1 |
|---|---|
| Summenformel | C10H16O2 |
| Durchschnittliche Molmasse | 168,23 g/mol |
| Monoisotopische Masse | 168,11502975 g/mol |
| SMILES | CC(C)=CC1C(C(=O)O)C1(C)C |
| InChIKey | XLOPRKKSAJMMEW-UHFFFAOYSA-N |
| PubChem CID | 2743 |
| ChEMBL | CHEMBL1437285 |
| ChEBI | CHEBI:3680 |
| EC No. | 211-883-9 |
| DTXSID | DTXSID30871866 |
| Lokaler Name | Chrysanthemsure |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 234 |
| Kovats Retention Index | 12831343.2 |
| Collision Cross Section | 130 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Siedepunkt | 257.18°C (rough estimate) |
| Dichte | 0.9812 (rough estimate) |
| Brechungsindex | 1.4890 (estimate) |
| Schmelzpunkt | 50-51 °C |
| pKa (Säurekonstante) | 4.90±0.33(Predicted) |
| Aggregatzustand | oil |
| Farbe | Pale yellow |
| EPA chemische Informationen | Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)- (10453-89-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | Not ClassifiedReported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Not Classified |
| TSCA-Inventar-Status | TSCA listed |
| Toxizität | guinea pig,LD50,oral,2500mg/kg (2500mg/kg),Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 16, 1986. |
Anwendungen & Verwendung
Verwenden
Chrysanthemic Acid is an intermediate in the synthesis of Chrysanthemic Acid (C903440); Dimethrin is a pesticide, a pyrethroid insecticide. An acaricide for agricultural purposes.