HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
9-cis-Retinal
(2E,4E,6Z,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal · C031390 · isoretinenea · (9Z)-Retinal · 9-CIS-RETINAL · Isoretinene a · cis-9-retinal · Retinal, 9-cis-
Identifikatoren & physikalische Daten
| CAS No. | 514-85-2 |
|---|---|
| Summenformel | C20H28O |
| Durchschnittliche Molmasse | 284,4 g/mol |
| Monoisotopische Masse | 284,21401552 g/mol |
| SMILES | CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C=O)C(C)(C)CCC1 |
| InChIKey | NCYCYZXNIZJOKI-MKOSUFFBSA-N |
| PubChem CID | 6436082 |
| ChEMBL | CHEMBL257381 |
| ChEBI | CHEBI:78273 |
| EC No. | 208-188-8 |
| DTXSID | DTXSID00891233 |
| Lokaler Name | 9-cis-Retinal |
Chemische & physikalische Eigenschaften
| XLogP | 6,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 522 |
| Stoffklassen | Biological Agents -> Vitamins and Derivatives |
| Lipide | Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> Retinoids [PR0109] |
| Physical Description | Solid[Sigma-Aldrich MSDS] |
| Collision Cross Section | 170.1 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)] |
| Schmelzpunkt | 56-58 °C(lit.) |
| Siedepunkt | 366.92°C (rough estimate) |
| Dichte | 1.0083 (rough estimate) |
| Brechungsindex | 1.4500 (estimate) |
| Lagerbedingungen | −20°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| Farbe | Yellow to Orange |
| Stabilität | Light Sensitive, Temperature Sensitive |
| InChI | 1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8-,17-13+ |
| InChIKey | NCYCYZXNIZJOKI-MKOSUFFBSA-N |
| SMILES | CC(=C\C=O)/C=C/C=C(C)\C=C\C1=C(C)CCCC1(C)C |
| EPA chemische Informationen | Retinal, 9-cis- (514-85-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | A skin irritantHarmful by ingestion, inhalation, and skin absorption[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| RTECS-Nr. | VH6406500 |
| R-Sätze (R) | 20/21/22-38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 22-36/37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralSkin Irrit. 2 |
Anwendungen & Verwendung
Verwenden
9-cis-Retinal is an isomer of all-trans-Retinal (R240000).