280070

3,5-Heptanedione

97%

• Linear Formula: H₃CCH₂COCH₂COCH₂CH₃
• CAS Number: 7424-54-6
• Molecular Weight: 128.17
• Beilstein/REAXYS Number: 635979
• EC Number: 231-054-5
• MDL number: MFCD00015186
• UNSPSC Code: 12352100
• PubChem Substance ID: 24856926
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 97%
• refractive index: n20/D 1.456 (lit.)
• bp: 175-177 °C/754 mmHg (lit.)
• density: 0.946 g/mL at 25 °C (lit.)
• functional group: ketone
• SMILES string: CCC(=O)CC(=O)CC
• InChI: 1S/C7H12O2/c1-3-6(8)5-7(9)4-2/h3-5H2,1-2H3
• InChI key: DGCTVLNZTFDPDJ-UHFFFAOYSA-N

Description

Application

3,5-Heptanedione has been used in:

• preparation of 3,5-diethylpyrazole hydrochloride
• enantioselective conjugate addition of 1,3-dicarbonyls to nitroolefins via nickel(II)-diamine catalysis

Safety Information

• pictograms: GHS02
• signalword: Warning
• hcodes: H226
• pcodes: P210 - P233 - P240 - P241 - P242 - P243
• Hazard Classifications: Flam. Liq. 3
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 135.0 °F - closed cup
• flash_point_c: 57.2 °C - closed cup
• ppe: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)