HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Hydroxydodecansure
10-Hydroxylauric acid · 10-Hydroxydodecanoic acid · HYDROXYLAURIC ACID · 2-HYDROXY C12:0 ACID · 2-HYDROXYLAURIC ACID · α-Hydroxylauric acid · dl-A-hydroxylauric acid · DL-α-Hydroxylauric acid
Identifikatoren & physikalische Daten
| CAS No. | 2984-55-6 |
|---|---|
| Summenformel | C12H24O3 |
| Durchschnittliche Molmasse | 216,32 g/mol |
| Monoisotopische Masse | 216,17254463 g/mol |
| SMILES | CCCCCCCCCCC(O)C(=O)O |
| InChIKey | YDZIJQXINJLRLL-UHFFFAOYSA-N |
| PubChem CID | 97783 |
| ChEMBL | CHEMBL4278254 |
| ChEBI | CHEBI:36211 |
| EC No. | 221-048-0 |
| DTXSID | DTXSID501021252 |
| Lokaler Name | 2-Hydroxydodecansure |
Chemische & physikalische Eigenschaften
| XLogP | 4,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 157 |
| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105] |
| Kosmetika | Cosmetic ingredients (Hydroxylauric Acid) -> CIR (Cosmetic Ingredient Review)Skin conditioning |
| Schmelzpunkt | 46-47 °C |
| Siedepunkt | 348.5±15.0 °C(Predicted) |
| Dichte | 0.987±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly), |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 3.86±0.21(Predicted) |
| Farbe | White to Off-White |
| Stabilität | Hygroscopic |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONING |
| InChI | 1S/C12H24O3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h11,13H,2-10H2,1H3,(H,14,15) |
| InChIKey | YDZIJQXINJLRLL-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCC(O)C(O)=O |
| LogP (Verteilungskoeffizient) | 3.735 (est) |
Sicherheit & Vorschriften
| Toxizitätsübersicht | The CIR Expert Panel concluded that the following ingredients are safe in the present practices of use and concentration described in the safety assessment when formulated to be non-irritating and non-sensitizing, which may be based on a QRA...Hydroxylauric Acid...Safe for use in cosmetics, with qualifications |
|---|---|
| Wassergefährdungsklasse (WGK) | 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
(8Z,11Z,14Z)-8,11,14-Heptadecatrienoic Acid, is a naturally occurring hydroxylated fatty acid that is found in Acinetobacter species. It acts as a partial agonist of free fatty acid receptor 1 (FFAR1/GPR40) and GPR84 receptors in vitro. It also inhibits bovine hepatic ligase (Ki = 4.4 μM) and mouse kidney mitochondrial medium-chain acyl-CoA synthetase by 48% at a concentration of 40 μM.