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(1R-trans)-2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropancarbonsure
ChrysantheMic Acid Chloride · 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylic acid · d-trans-Form · rans-Chrysanthemicaci · (1r-trans)-chrysanthemicacid · (+)-trans-Chrysanthemic acid · trans-(+)-Chrysanthemic acid, 99+% · (1R-trans)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanec...
Identifikatoren & physikalische Daten
| CAS No. | 4638-92-0 |
|---|---|
| Summenformel | C10H16O2 |
| Durchschnittliche Molmasse | 168,23 g/mol |
| Monoisotopische Masse | 168,11502975 g/mol |
| SMILES | CC(C)=C[C@@H]1[C@@H](C(=O)O)C1(C)C |
| InChIKey | XLOPRKKSAJMMEW-SFYZADRCSA-N |
| PubChem CID | 16747 |
| ChEBI | CHEBI:39100 |
| EC No. | 211-883-9 |
| DTXSID | DTXSID101033188 |
| Lokaler Name | (1R-trans)-2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropancarbonsure |
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 |
| Lipide | Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102] |
| Pestizide | Environmental transformation -> Pesticide transformation products (metabolite, successor) |
| Schmelzpunkt | 17-21 °C |
| Siedepunkt | 255.81°C (rough estimate) |
| Dichte | 0.9934 (rough estimate) |
| Brechungsindex | n20/D 1.477 |
| Lagerbedingungen | 0-6°C |
| pKa (Säurekonstante) | 4.90±0.33(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to yellow |
| BRN | 4904351 |
| InChI | 1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)/t7-,8+/m1/s1 |
| InChIKey | XLOPRKKSAJMMEW-SFYZADRCSA-N |
| SMILES | C\C(C)=C/[C@@H]1[C@@H](C(O)=O)C1(C)C |
| CAS Datenbank | 4638-92-0 |
| EPA chemische Informationen | Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1R,3R)- (4638-92-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.3% (1 of 43) of reports.WarningH315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (97.7%) |
| F | 10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29162090 |
| RTECS-Nr. | GZ1280000 |
| R-Sätze (R) | 36/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2 |
Anwendungen & Verwendung
Verwenden
(+)-trans-Chrysanthemic Acid is a reactant in the synthesis of (1R,3R)-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl (R)-2-acetoxy-3-methylbutanoate, the sex pheromone of Pseudococcus calceolariae, the citrophilous mealybug