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Pyruvic aldehyde dimethyl acetal
1,1-Dimethoxypropan-2-one · 2,2-DiMethoxypropanal · PYRUVIC ALDEHYDE DIMETHYL ACETAL · 1,1-DIMETHOXYACETONE · 2-Propanone, 1,1-dimethoxy- · METHYLGLYOXAL DIMETHYL ACETAL · Pyruvic aL · Pyruvaldehyde 1
Identifikatoren & physikalische Daten
| CAS No. | 6342-56-9 |
|---|---|
| Summenformel | C5H10O3 |
| Durchschnittliche Molmasse | 118,13 g/mol |
| Monoisotopische Masse | 118,06299418 g/mol |
| SMILES | COC(OC)C(C)=O |
| InChIKey | ULVSHNOGEVXRDR-UHFFFAOYSA-N |
| PubChem CID | 80650 |
| EC No. | 228-735-4 |
| DTXSID | DTXSID6064244 |
Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 75,7 |
| Stoffklassen | Other Classes -> Acetals |
| Dampfdruck | 8.48 [mmHg]11hPa at 20℃ |
| Physical Description | Clear dark yellow liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | -57 °C |
| Siedepunkt | 143-147 °C(lit.) |
| Dichte | 0.976 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.398(lit.) |
| Flammpunkt | 100 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to yellow |
| Löslichkeit | MISCIBLE |
| BRN | 1560557 |
| InChI | 1S/C5H10O3/c1-4(6)5(7-2)8-3/h5H,1-3H3 |
| InChIKey | ULVSHNOGEVXRDR-UHFFFAOYSA-N |
| SMILES | COC(OC)C(C)=O |
| LogP (Verteilungskoeffizient) | -0.199 (est) |
| CAS Datenbank | 6342-56-9 |
| NIST chemische Informationen | 2-Propanone, 1,1-dimethoxy-(6342-56-9) |
| EPA chemische Informationen | 2-Propanone, 1,1-dimethoxy- (6342-56-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 55 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Propanone, 1,1-dimethoxy-Status: Active Update: 05-01-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16767Pyruvaldehyde 1,1-dimethyl acetal: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritant[Sigma-Aldrich MSDS] See Methyl propyl ketone. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1224 3/PG 3 |
| Zollcode | 29145000 |
| R-Sätze (R) | 10-36/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-16 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Methylglyoxal 1,1-dimethyl acetal was used in the synthesis of methylglyoxal via hydrolysis in the presence of H2SO4. It was used to investigate the effects of methylglyoxal-mediated glycation on the structure, thermal stability and enzyme activity of yeast enolase in vivo.