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Valeriansureanhydrid
N-VALERIC ANHYDRIDE · eric Anhydride · Penic anhydride · VALERIC ANHYDRIDE · PENTANOIC ANHYDRIDE · pentanoyl pentanoate · Valeriansureanhydrid · VALERIC ANHYDRIDE 98%
Identifikatoren & physikalische Daten
| CAS No. | 2082-59-9 |
|---|---|
| Summenformel | C10H18O3 |
| Durchschnittliche Molmasse | 186,25 g/mol |
| Monoisotopische Masse | 186,12559444 g/mol |
| SMILES | CCCCC(=O)OC(=O)CCCC |
| InChIKey | DUCKXCGALKOSJF-UHFFFAOYSA-N |
| PubChem CID | 74959 |
| EC No. | 218-212-9 |
| DTXSID | DTXSID70870934 |
| Lokaler Name | Valeriansureanhydrid |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 146 |
| SpringerMaterials Properties | Optical coefficient |
| Schmelzpunkt | -56 °C (lit.) |
| Siedepunkt | 228-230 °C (lit.) |
| Dichte | 0.944 g/mL at 20 °C (lit.) |
| Dampfdruck | 5Pa at 25℃ |
| Brechungsindex | n20/D 1.421(lit.) |
| Flammpunkt | 214 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)486.3 mg/L (25 °C,est) |
| Aggregatzustand | Liquid |
| Wichte | 0.945-0.95 (20.00 °C) |
| Farbe | Clear colorless to yellow |
| BRN | 1770130 |
| InChI | 1S/C10H18O3/c1-3-5-7-9(11)13-10(12)8-6-4-2/h3-8H2,1-2H3 |
| InChIKey | DUCKXCGALKOSJF-UHFFFAOYSA-N |
| SMILES | CCCCC(=O)OC(=O)CCCC |
| LogP (Verteilungskoeffizient) | 3.33 at 25℃ |
| CAS Datenbank | 2082-59-9(CAS DataBase Reference) |
| EPA chemische Informationen | Pentanoic acid, anhydride (2082-59-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (27.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P333+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 147 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Pentanoic acid, anhydrideStatus: Active Update: 20-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/20891Pentanoic anhydride: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Pentanoic acid, anhydride: Human health tier I assessment |
| Hazard Classes and Categories | Skin Corr. 1C (27.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 3 |
| Zollcode | 29159000 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Beschreibung
Valeric anhydride is an important organic synthetic raw material or intermediate component, often used in industrial or medical fields. It can be used in the preparation of butylphthalide, resin components, lutein esters, analgesics and organic glass.
Verwenden
Valeric Anhydride is used in the synthesis of non-imadazole histamine H3-antagonists. Also used in the preparation of millepachine derivatives as a new class of tubulin polymerization inhibitors.