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3R-hydroxymyristic acid methyl ester
(R) Methyl-3-hydroxymyristate · R-(3)-hydroxyacidmethyl ester · Methyl R-(3)-HYDROXYMYRISTIC ACID · METHYL-(R)-3-HYDROXYTETRADECANOATE · METHYL (R)-3-HYDROXYTETRADECONOATE · Methyl (3R)-3-hydroxytetradecanoate · R-(3)-HYDROXYMYRISTIC ACID, METHYL ESTER · (R)-3-HYDROXYTETRADECONOIC ACID, METHYL ESTER
Identifikatoren & physikalische Daten
| CAS No. | 76062-97-0 |
|---|---|
| Summenformel | C15H30O3 |
| Durchschnittliche Molmasse | 258,4 g/mol |
| SMILES | CCCCCCCCCCC[C@@H](O)CC(=O)OC |
| InChIKey | UOZZAMWODZQSOA-CQSZACIVSA-N |
| PubChem CID | 9834945 |
| EC No. | 118-470-1 |
Chemische & physikalische Eigenschaften
| XLogP | 5 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 13 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 192 |
| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105] |
| Schmelzpunkt | 39-40°C |
| Siedepunkt | 359.1±15.0 °C(Predicted) |
| Dichte | 0.931±0.06 g/cm3(Predicted) |
| Lagerbedingungen | -20°C Freezer |
| Löslichkeit | Chloroform (Slightly), Methanol |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 13.91±0.20(Predicted) |
| Farbe | White to Off-White |
| InChI | InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18-2/h14,16H,3-13H2,1-2H3/t14-/m1/s1 |
| InChIKey | UOZZAMWODZQSOA-CQSZACIVSA-N |
| SMILES | C(OC)(=O)C[C@H](O)CCCCCCCCCCC |
| CAS Datenbank | 76062-97-0 |
Sicherheit & Vorschriften
| GHS-Einstufung | H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Aquatic Chronic 4 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
The methyl ester of one of two major components of bacterial Lipid A.