H41544

4-Hydroxy-4-methyl-2-pentanone

99%

• Synonym(s): Diacetone alcohol
• Linear Formula: (CH₃)₂C(OH)CH₂COCH₃
• CAS Number: 123-42-2
• Molecular Weight: 116.16
• Beilstein/REAXYS Number: 1740440
• EC Number: 204-626-7
• MDL number: MFCD00004471
• UNSPSC Code: 12352100
• PubChem Substance ID: 24895626
• NACRES: NA.22

Properties

• vapor density: 4 (vs air)
• Quality Level: 200
• vapor pressure: <1 mmHg ( 20 °C)
• assay: 99%
• form: liquid
• expl. lim.: 6.9 %
• refractive index: n20/D 1.423 (lit.)
• bp: 166 °C (lit.)
• density: 0.931 g/mL at 25 °C (lit.)
• SMILES string: CC(=O)CC(C)(C)O
• InChI: 1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
• InChI key: SWXVUIWOUIDPGS-UHFFFAOYSA-N

Description

General description

4-Hydroxy-4-methyl-2-pentanone is commonly used as a solvent in various industries, including paints, coatings, adhesives, and printing inks.

Application

4-Hydroxy-4-methyl-2-pentanone can be used to synthesize:

• Diolmonoesters by reacting with aldehydes via tandem aldol-transfer–Tischtschenko reaction catalyzed by trimethylaluminum.
• Aldol-transfer products such as β-hydroxy ketones by reacting with various aldehydes in the presence of L-proline as a catalyst.
• Mono-α-arylated ketones and esters via Pd catalyzed reaction with aryl halides and aryl triflates, respectively.

It can also be used as a complexing agent to synthesize double-metal cyanide (DMC) catalysts by reacting with metal salt (MX) and cyanometalate compounds.

Safety Information

• pictograms: GHS02,GHS08,GHS07
• signalword: Warning
• hcodes: H226,H319,H335,H361fd
• pcodes: P202 - P210 - P233 - P240 - P305 + P351 + P338 - P308 + P313
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 3 - Repr. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 136.4 °F - closed cup
• flash_point_c: 58 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter