136867

2,4-Dimethyl-3-pentanone

98%

• Synonym(s): Diisopropyl ketone, Isobutyrone
• Linear Formula: (CH₃)₂CHCOCH(CH₃)₂
• CAS Number: 565-80-0
• Molecular Weight: 114.19
• Beilstein/REAXYS Number: 773782
• EC Number: 209-294-7
• MDL number: MFCD00008918
• UNSPSC Code: 12352100
• PubChem Substance ID: 24848297
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 98%
• form: liquid
• refractive index: n20/D 1.400 (lit.)
• bp: 124 °C (lit.)
• mp: −80 °C (lit.)
• density: 0.806 g/mL at 25 °C (lit.)
• functional group: ketone
• SMILES string: CC(C)C(=O)C(C)C
• InChI: 1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3
• InChI key: HXVNBWAKAOHACI-UHFFFAOYSA-N

Description

Application

2,4-Dimethyl-3-pentanone was used in an experimental method to measure the equilibrium isotopic fractionation factor (α_eq ) for C-bound H positions adjacent to carbonyl group in ketones.

Safety Information

• pictograms: GHS02,GHS07
• signalword: Danger
• hcodes: H225,H332
• pcodes: P210 - P233 - P240 - P241 - P242 - P304 + P340 + P312
• Hazard Classifications: Acute Tox. 4 Inhalation - Flam. Liq. 2
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 59.0 °F - closed cup
• flash_point_c: 15 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter