241962

2,3-Pentanedione

97%

• Synonym(s): Acetylpropionyl
• Linear Formula: CH₃CH₂COCOCH₃
• CAS Number: 600-14-6
• Molecular Weight: 100.12
• Beilstein: 1699638
• EC Number: 209-984-8
• MDL number: MFCD00009313
• UNSPSC Code: 12352100
• PubChem Substance ID: 24854523
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 97%
• refractive index: n20/D 1.404 (lit.)
• bp: 110-112 °C (lit.)
• mp: −52 °C (lit.)
• density: 0.957 g/mL at 25 °C (lit.)
• functional group: ketone
• storage temp.: 2-8°C
• SMILES string: CCC(=O)C(C)=O
• InChI: 1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3
• InChI key: TZMFJUDUGYTVRY-UHFFFAOYSA-N
• Gene Information: human ... ACHE(43) , BCHE(590) , CES1(1066)

Description

General description

2,3-Pentanedione (acetylpropionyl) is one of the aroma active compounds of cereal coffee brew.

Application

2,3-Pentanedione can be used as a reactant to synthesize:

• Bisphenol derivatives by acid-catalyzed condensation reaction with phenols.
• 2-Ethyl-3-methyl-1H-indole by Pd-catalyzed reaction with aniline under reductive conditions.
• 2-Ethyl-3-methylquinoxaline by condensation reaction with o-phenylenediamine using citric acid as a catalyst.

Safety Information

• Pictograms: GHS02,GHS08,GHS07
• Signal Word: Danger
• Hazard Statements: H225,H317,H373
• Precautionary Statements: P210 - P233 - P240 - P280 - P303 + P361 + P353 - P314
• Hazard Classifications: Flam. Liq. 2 - Skin Sens. 1B - STOT RE 2
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 1
• Flash Point(F): 66.2 °F - open cup
• Flash Point(C): 19 °C - open cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves