HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Tetradecandisure
tetradecanedioate · DCA 14 · 1,12-Dodecaned · tetradecane diacid · etradecanedioicaci · RARECHEM AL BO 1123 · tetradecandioic acid · TETRADECANEDIOIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 821-38-5 |
|---|---|
| Summenformel | C14H26O4 |
| Durchschnittliche Molmasse | 258,35 g/mol |
| Monoisotopische Masse | 258,18310931 g/mol |
| SMILES | O=C(O)CCCCCCCCCCCCC(=O)O |
| InChIKey | HQHCYKULIHKCEB-UHFFFAOYSA-N |
| PubChem CID | 13185 |
| ChEBI | CHEBI:76308 |
| EC No. | 212-476-9 |
| DTXSID | DTXSID5061166 |
| Lokaler Name | Tetradecandisure |
Chemische & physikalische Eigenschaften
| XLogP | 4,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 13 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 202 |
| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117] |
| Löslichkeit | 0.2 mg/mLDMSO (Slightly), Methanol (Slightly)SLIGHTLY SOLUBLE |
| Physical Description | Solid |
| Schmelzpunkt | 124-127 °C (lit.) |
| Siedepunkt | 427.81°C (rough estimate) |
| Dichte | 1.0768 (rough estimate) |
| Dampfdruck | 1.3hPa at 20℃ |
| Brechungsindex | 1.4650 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 4.48±0.10(Predicted) |
| Farbe | White to Off-White |
| BRN | 1788202 |
| InChI | 1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18) |
| InChIKey | HQHCYKULIHKCEB-UHFFFAOYSA-N |
| SMILES | OC(=O)CCCCCCCCCCCCC(O)=O |
| LogP (Verteilungskoeffizient) | 4.2 at 25℃ |
| CAS Datenbank | 821-38-5(CAS DataBase Reference) |
| NIST chemische Informationen | Tetradecanedioic acid(821-38-5) |
| EPA chemische Informationen | Tetradecanedioic acid (821-38-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.1% (1 of 48) of reports.DangerH315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | REACH registered substance: Tetradecanedioic acid (EC: 212-476-9)Tetradecanedioic acid: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (87.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29171900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Dam. 1 |
Anwendungen & Verwendung
Verwenden
Tetradecanedioic acid is used as an organic chemical synthesis intermediate.