165131

2,5-Hexandion

≥98%

• Synonym(e): Acetonylaceton
• Lineare Formel: CH₃COCH₂CH₂COCH₃
• CAS-Nummer: 110-13-4
• Molekulargewicht: 114.14
• Beilstein: 506525
• EG-Nummer: 203-738-3
• MDL-Nummer: MFCD00008792
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 24850126
• NACRES: NA.22

Eigenschaften

• Dampfdruck: 0.43 mmHg ( 20 °C)
• Assay: ≥98%
• Form: liquid
• Brechungsindex: n20/D 1.425 (lit.)
• bp: 191 °C (lit.)
• mp (Schmelzpunkt): −6-−5 °C (lit.)
• Löslichkeit: alcohol: miscible; diethyl ether: miscible; water: miscible
• Dichte: 0.973 g/mL at 25 °C (lit.)
• Funktionelle Gruppe: ketone
• SMILES String: CC(=O)CCC(C)=O
• InChI: 1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3
• InChIKey: OJVAMHKKJGICOG-UHFFFAOYSA-N

Beschreibung

Allgemeine Beschreibung

2,5-Hexanedione is a major metabolite of the neurotoxic industrial solvent methyl n-butyl ketone. It reacts with amines to yield 2,5-dimethylpyrroles.

Anwendung

2,5-Hexanedione was used as starting reagent in the synthesis of trans-2,5-dimethylpyrrolidine.

It was used as reference standard for the determination of 2,5HD in human urine using gas chromatography-electron capture detection and gas chromatography-mass selective detection.

Sicherheitshinweise

• Piktogramme: GHS08,GHS07
• Signalwort: Warning
• H-Sätze: H302,H315,H319,H361f,H373
• P-Sätze: P202 - P260 - P301 + P312 - P302 + P352 - P305 + P351 + P338 - P308 + P313
• Gefahreneinstufungen: Acute Tox. 4 Oral - Eye Irrit. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2
• Zielorgane: Nervous system
• Lagerklassenschlüssel: 10 - Combustible liquids
• WGK: WGK 2
• Flammpunkt (°F): 174.2 °F - closed cup
• Flammpunkt (°C): 79 °C - closed cup
• Persönliche Schutzausrüstung: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter