HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-Octenal, 3,7-dimethyl-, (3R)-
(R)-3,7-dimethyloct-6-enal · D-Citronellal · CITRONELLAL(D-) · CITRONELLAL (R+) · (R)-(+)-CITRONELLAL · (+)-CITRONELLAL 95+% · (3R)-(+)-Citronellal · Citronellal Impurity 1
Identifikatoren & physikalische Daten
| CAS No. | 2385-77-5 |
|---|---|
| Summenformel | C10H18O |
| Durchschnittliche Molmasse | 154,25 g/mol |
| Monoisotopische Masse | 154,1357652 g/mol |
| SMILES | CC(C)=CCC[C@@H](C)CC=O |
| InChIKey | NEHNMFOYXAPHSD-SNVBAGLBSA-N |
| PubChem CID | 75427 |
| ChEMBL | CHEMBL1081721 |
| ChEBI | CHEBI:299 |
| EC No. | 219-194-5 |
| DTXSID | DTXSID6044482 |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 132 |
| Lipide | Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102] |
| LogP (Verteilungskoeffizient) | 3.83 |
| Siedepunkt | 207.00 °C. @ 760.00 mm Hg207 °C(lit.) |
| Schmelzpunkt | < 25 °C25°C |
| Physical Description | Solid |
| Dichte | 0.851 g/mL at 25 °C(lit.) |
| Dampfdruck | 33.9Pa at 25℃ |
| Brechungsindex | n20/D 1.448(lit.) |
| Flammpunkt | 185 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Sparingly), Ethyl Acetate (Slightly)88mg/L |
| Aggregatzustand | Oil |
| Farbe | Colourless |
| Geruch | at 100.00 %. fresh herbal citrus |
| Geruchsart | herbal |
| Merck | 2329 |
| BRN | 1720791 |
| InChI | 1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m1/s1 |
| InChIKey | NEHNMFOYXAPHSD-SNVBAGLBSA-N |
| SMILES | C[C@H](CC\C=C(\C)C)CC=O |
| LogP (Verteilungskoeffizient) | 3.83 at 25℃ |
| CAS Datenbank | 2385-77-5(CAS DataBase Reference) |
| EPA chemische Informationen | 6-Octenal, 3,7-dimethyl-, (3R)- (2385-77-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 146 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 6-Octenal, 3,7-dimethyl-, (R)-Status: Active Update: 13-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/22664 |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2912190090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
(+)-Citronellal is a monoterpene compound that is formed by the metabolism of plants. (+)-Citronellal is a natural insect repellant, and is the main component of citronellal oil. (+)-Citronellal is also used as a starting material in the one pot synthesis of (-)-Menthol (M218875).