HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Tridecandisaeure
TRIDECANEDIOIC ACID · BRASSYLIC ACID · Brassilic acid · 1,13-TRIDECANEDIOIC ACID · UNDECANE-1 · TRIDECANDIOIC ACID · 1,13-Brassylic acid · Tridecanedionicacid
Identifikatoren & physikalische Daten
| CAS No. | 505-52-2 |
|---|---|
| Summenformel | C13H24O4 |
| Durchschnittliche Molmasse | 244,33 g/mol |
| Monoisotopische Masse | 244,16745925 g/mol |
| SMILES | O=C(O)CCCCCCCCCCCC(=O)O |
| InChIKey | DXNCZXXFRKPEPY-UHFFFAOYSA-N |
| PubChem CID | 10458 |
| ChEMBL | CHEMBL3187746 |
| ChEBI | CHEBI:73718 |
| EC No. | 208-011-4 |
| DTXSID | DTXSID9021683 |
| Lokaler Name | Tridecandisaeure |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 12 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 191 |
| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117] |
| SpringerMaterials Properties | Crystal structure |
| Löslichkeit | 1.5 mg/mL at 21 °CDMSO (Slightly), Methanol (Slightly)Insoluble |
| Schmelzpunkt | 111 °C112-114 °C(lit.) |
| Physical Description | Other Solid |
| Siedepunkt | 415.5°C (rough estimate) |
| Dichte | 1.15 g/cm3 (25℃) |
| Dampfdruck | 0Pa at 20℃ |
| Brechungsindex | 1.4453 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 4.48±0.10(Predicted) |
| Farbe | White to Off-White |
| InChI | 1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17) |
| InChIKey | DXNCZXXFRKPEPY-UHFFFAOYSA-N |
| SMILES | OC(=O)CCCCCCCCCCCC(O)=O |
| LogP (Verteilungskoeffizient) | 3.3 at 25℃ |
| CAS Datenbank | 505-52-2(CAS DataBase Reference) |
| NIST chemische Informationen | Tridecanedioic acid(505-52-2) |
| EPA chemische Informationen | Tridecanedioic acid (505-52-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (25.6%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, 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 168 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Tridecanedioic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Tridecanedioic acid are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 07-01-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/5931Tridecanedioic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Skin Irrit. 2 (25.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29171990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Aquatic Chronic 3Eye Irrit. 2 |
Anwendungen & Verwendung
Verwenden
1,11-Undecanedicarboxylic Acid is used in the synthesis of two Bis(tetrahydroisoquinoline) which were highly cytotoxic for cancer-cell cultures and less toxic to healthy cells and exhibited noticeable antimicrobial activity against Gram-positive and Gram-negative bacteria and fungal strain Candida albicans.