Pyruvic aldehyde dimethyl acetal (HCID 80650)

Namen und Bezeichner

Bevorzugter Name: Pyruvic aldehyde dimethyl acetal
IUPAC: 1,1-dimethoxypropan-2-one
Englischer Name: Methylglyoxal 1,1-dimethyl acetal
Summenformel: C5H10O3
Molmasse: 118.13

Namen und Synonyme

6342-56-91,1-DimethoxyacetonePyruvic aldehyde dimethyl acetal1,1-Dimethoxy-2-propanone2-Propanone, 1,1-dimethoxy-Methylglyoxal dimethyl acetalDimethoxymethyl methyl ketonePyruvaldehyde dimethyl acetalAI3-37790NSC-501273772KY264DDTXSID6064244

Weitere Namen anzeigen

2,2-DiMethoxypropanalPyruvic aLPyruvaldehyde 11,1-DimethoxyacetonMethylglyoxal 1,1-di

RefChem:818615DTXCID1043839228-735-41,1-dimethoxypropan-2-oneMethylglyoxal 1,1-dimethyl acetal1,1-Dimethoxy acetonePyruvaldehyde, 1-(dimethyl acetal)MFCD00008758

Datenbank-Bezeichner

CAS: 6342-56-9
PubChem CID: 80650
DTXSID: DTXSID6064244
UNII: 3772KY264D
EC Number: 228-735-4
Nikkaji: J206.945H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,2
Polarare Oberfläche (TPSA): 35,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 8
Formalladung: 0
Komplexität: 75,7

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Acetals

Vapor Pressure8.48 [mmHg]

Physical DescriptionClear dark yellow liquid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: -57 °C · -57 °C
Siedepunkt: 143 · 143-147 °C(lit.)
Dichte: 0.976 g/mL · 0.976 g/mL at 25 °C(lit.)
Dampfdruck: 11 hPa · 11hPa at 20℃
Brechungsindex: 20 · n20/D 1.398(lit.)
Flammpunkt: 100 °F · 100 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: Liquid
Farbe: Clear colorless to yellow
Wasserlöslichkeit: MISCIBLE
BRN: 1560557 · 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: -0.199 · -0.199 (est)
CAS Datenbank: 6342 · 6342-56-9
NIST chemische Informationen: 2 · 2-Propanone, 1,1-dimethoxy-(6342-56-9)
EPA chemische Informationen: 2 · 2-Propanone, 1,1-dimethoxy- (6342-56-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 2-Propanone, 1,1-dimethoxy-

Status: Active Update: 05-01-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16767

Pyruvaldehyde 1,1-dimethyl acetal: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See Methyl propyl ketone.

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

wgk: 1
tsca: TSCA listed
ridadr: UN 1224 3/PG 3
hs_code: 29145000
risk_code: 10-36/38
hazard_code: Xi
safety_code: 26-36-16
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information2-Propanone, 1,1-dimethoxy-: ACTIVE

Anwendungen · 1 Eintrag

VerwendenMethylglyoxal 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.