HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Citral
NERAL · GERANIAL · cis-Citral · 2,6-Octadienal, 3,7-dimethyl- · 3,7-DIMETHYL-2,6-OCTADIENAL · CITRATHAL · FEMA 2303 · geranialdehyde
Identifikatoren & physikalische Daten
| CAS No. | 5392-40-5 |
|---|---|
| Summenformel | C10H16O |
| Durchschnittliche Molmasse | 152,23 g/mol |
| Monoisotopische Masse | 152,12011513 g/mol |
| SMILES | CC(C)=CCCC(C)=CC=O |
| InChIKey | WTEVQBCEXWBHNA-UHFFFAOYSA-N |
| PubChem CID | 8843 |
| ChEMBL | CHEMBL2297541 |
| ChEBI | CHEBI:23316 |
| DTXSID | DTXSID6024836 |
| Lokaler Name | Citral |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 171 |
| SpringerMaterials Properties | Boiling point |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | <-10°C |
| Siedepunkt | 229 °C (lit.) |
| Dichte | 0.888 g/mL at 25 °C (lit.) |
| Dampfdichte | 5 (vs air) |
| Dampfdruck | 0.2 mm Hg ( 200 °C) |
| Brechungsindex | n20/D 1.488(lit.) |
| FEMA | 2303 | CITRAL |
| Flammpunkt | 215 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | 0.42g/lPRACTICALLY INSOLUBLE |
| Aggregatzustand | Liquid |
| Farbe | colorless to light yellow |
| Geruch | at 100.00 %. sweet lemon citral |
| Geruchsart | citrus |
| Biologische Quelle | synthetic |
| Explosionsgrenze | 4.3-9.9%(V) |
| Merck | 14,2322 |
| JECFA Number | 1225 |
| BRN | 1721871 |
| Henry-Konstante | 2.9×10-1 mol/(m3Pa) at 25℃, Wu et al. (2022) |
| Stabilität | Stable. but readily isomerizes. Incompatible with alkalies, strong oxidizing agents, strong acids. Combustible. Air and light sensitive. |
| Hauptanwendungen | flavors and fragrances |
| Kosmetik-Inhaltsstoffe Funktionen | FLAVOURINGFRAGRANCEPERFUMING |
| InChI | 1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3 |
| InChIKey | WTEVQBCEXWBHNA-UHFFFAOYSA-N |
| SMILES | [H]C(=O)C=C(C)CC\C=C(\C)C |
| LogP (Verteilungskoeffizient) | 2.76 at 25℃ |
| CAS Datenbank | 5392-40-5(CAS DataBase Reference) |
| NIST chemische Informationen | Citral(5392-40-5) |
| EPA chemische Informationen | Citral (5392-40-5) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 1 |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 1760 |
| Zollcode | 2912 19 00 |
| RTECS-Nr. | RG5075000 |
| R-Sätze (R) | 38-43 |
| Toxizität | LD50 orally in rats: 4.96 g/kg (Opdyke) |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25-37 |
| Gefahrenklasse | 8Eye Irrit. 2Skin Irrit. 2Skin Sens. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrstoffdaten | 5392-40-5(Hazardous Substances Data) |
| Selbstentzündungstemperatur | 225 °C |
Anwendungen & Verwendung
Occurrence
Reported found in apricot, clary sage, ginger, grape, grapefruit, lemon, lime, mandarin, orange, raspberry, tamarind, tangerine, tea and tomato.
Verwenden
Citral is an anti-microbial agent found in plants with antibacterial activity against some food pathogens. It is also a fragrance compound with a distinct lemon scent.