HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Acetic acid-2-13C,2,2,2-d3
E 260-2-13C,d3 · Aci-Jel-2-13C,d3 · NSC 111201-2-13C,d3 · NSC 112209-2-13C,d3 · Ethylic Acid-2-13C,d3 · Ethanoic Acid-2-13C,d3 · acetic-2-13C-2-D3 acid · ACETIC ACID-2-13C,2,2,2-D3
Identifikatoren & physikalische Daten
| CAS No. | 79562-15-5 |
|---|---|
| Summenformel | C2H4O2 |
| Durchschnittliche Molmasse | 64,063 g/mol |
| Monoisotopische Masse | 64,04331444 g/mol |
| SMILES | [2H][13C]([2H])([2H])C(=O)O |
| InChIKey | QTBSBXVTEAMEQO-KQORAOOSSA-N |
| PubChem CID | 12220511 |
| EC No. | 663-828-7 |
| DTXSID | DTXSID30481080 |
Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 4 |
| Formalladung | 0 |
| Komplexität | 31 |
| Schmelzpunkt | 16.2 °C(lit.) |
| Siedepunkt | 117-118 °C(lit.) |
| Dichte | 1.118 g/mL at 25 °C |
| Dampfdichte | 2.07 (vs air) |
| Dampfdruck | 11.4 mm Hg ( 20 °C) |
| Brechungsindex | n20/D 1.37(lit.) |
| Flammpunkt | 104 °F |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Chloroform (Sparingly), Methanol (Slightly) |
| Aggregatzustand | Oil |
| Farbe | Colourless |
| Explosionsgrenze | 16% |
| InChI | 1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1+1D3 |
| InChIKey | QTBSBXVTEAMEQO-KQORAOOSSA-N |
| SMILES | [2H][13C]([2H])([2H])C(O)=O |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2789 8/PG 2 |
| R-Sätze (R) | 10-35 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 16-26-36/37/39-45-23 |
| Lagerklasse | 3 - Flammable liquids |
| Gefahrenklasse | Eye Dam. 1Flam. Liq. 3Skin Corr. 1A |
| Selbstentzündungstemperatur | 800 °F |
Anwendungen & Verwendung
Verwenden
Acetic Acid-2-13C-2,2,2-d3 is used in a biosynthetic study such as the biosynthesis of Asperlactone.