15-Hydroxypentadecansure
15-Hydroxytenate · OMEGA-HYDROXY C15:0 · 15 hydroxydecanoic acid · Lactic Acid Impurity 123 · 15-HYDROXYPENTADECANOATE · 15-Hydroxypentadecanoic acid · 15-HydroxypentadecanoicAcid>Pentadecanoic acid, 15-hydroxy- · 15-Hydroxypentadecanoic acid 97%
Identifikatoren & physikalische Daten
| CAS No. | 4617-33-8 |
|---|---|
| Summenformel | C15H30O3 |
| Durchschnittliche Molmasse | 258,4 g/mol |
| Monoisotopische Masse | 258,21949481 g/mol |
| SMILES | O=C(O)CCCCCCCCCCCCCCO |
| InChIKey | BZUNJUAMQZRJIP-UHFFFAOYSA-N |
| PubChem CID | 78360 |
| ChEBI | CHEBI:79169 |
| EC No. | 225-026-1 |
| DTXSID | DTXSID00196750 |
| Lokaler Name | 15-Hydroxypentadecansure |
Chemische & physikalische Eigenschaften
| XLogP | 4,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 14 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 181 |
| Schmelzpunkt | 85-89 °C(lit.) |
| Siedepunkt | 174-220 °C(Press: 4 Torr) |
| Dichte | 0.963±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Slightly, Sonicated), DMSO (Slightly) |
| pKa (Säurekonstante) | 4.78±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| BRN | 1240100 |
| InChI | InChI=1S/C15H30O3/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(17)18/h16H,1-14H2,(H,17,18) |
| InChIKey | BZUNJUAMQZRJIP-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CCCCCCCCCCCCCCO |
| CAS Datenbank | 4617-33-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2915907098 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
15-hydroxy Pentadecanoic acid is a hydroxylated fatty acid that has been used in the synthesis of the macrocyclic lactone musk compounds exaltolide and phoracantholide I. [Matreya, LLC. Catalog No. 1881]
Verwenden
15-Hydroxypentadecanoic acid is suitable reagent used in the following studies: As an internal standard in the quantification of formation of 11-hydroxylauric acid by gas chromatography.In the synthesis of [16-14C]16DCA (DCA= dicarboxylic acid) by one-carbon elongation procedure at C15.As an internal standard for the normalization of intensities in the mass spectra of plant cutin polymer.It may be used in the synthesis of 5-pentadecanolide on dealuminated HY zeolite and also fatty acid analog of podophyllotoxin.