HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
11-Hydroxyundecansure
1-HYDROXYUNDECANOIC ACID · TIMTEC-BB SBB009096 · 11-hydroxyundecanoate · 11-HYDROXYUNDECYLIC ACID · 11-Hydroxyundecanoic acid · Undecanoic acid, 11-hydroxy- · 11-HYDROXYUNDECANOIC ACID 98% · 11-Hydroxyundecanoic acid,98%
Identifikatoren & physikalische Daten
| CAS No. | 3669-80-5 |
|---|---|
| Summenformel | C11H22O3 |
| Durchschnittliche Molmasse | 202,29 g/mol |
| Monoisotopische Masse | 202,15689456 g/mol |
| SMILES | O=C(O)CCCCCCCCCCO |
| InChIKey | KNRCBASNXNXUQQ-UHFFFAOYSA-N |
| PubChem CID | 77237 |
| ChEBI | CHEBI:79126 |
| EC No. | 222-932-9 |
| DTXSID | DTXSID40190136 |
| Lokaler Name | 11-Hydroxyundecansure |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 134 |
| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105] |
| Schmelzpunkt | 65-69 °C |
| Siedepunkt | 280.42°C (rough estimate) |
| Dichte | 1.0270 (rough estimate) |
| Brechungsindex | 1.4174 (estimate) |
| Lagerbedingungen | Store at room temperature |
| Löslichkeit | Chloroform, DCM, Ethyl Acetate, Methanol |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 4.78±0.10(Predicted) |
| Farbe | White |
| InChI | InChI=1S/C11H22O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h12H,1-10H2,(H,13,14) |
| InChIKey | KNRCBASNXNXUQQ-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CCCCCCCCCCO |
| LogP (Verteilungskoeffizient) | 2.490 (est) |
| CAS Datenbank | 3669-80-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29181998 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
11-Hydroxyundecanoic acid can be prepared by employing the following starting reagents:10-undecenoic acidundecylenic acid and hydrobromic acidmethyl 11-bromoundecanoatericinoleic acid (12-hydroxyoleic acid)