78891

4-Hydroxy-4-methyl-2-pentanone

analytical standard

• 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: 85151701
• PubChem Substance ID: 329768191
• NACRES: NA.24

Properties

• grade: analytical standard
• Quality Level: 100
• vapor density: 4 (vs air)
• vapor pressure: <1 mmHg ( 20 °C)
• assay: ≥98.5% (GC)
• shelf life: limited shelf life, expiry date on the label
• expl. lim.: 6.9 %
• technique(s): HPLC: suitable; gas chromatography (GC): suitable
• impurities: ≤0.5% water
• refractive index: n20/D 1.423 (lit.)
• bp: 166 °C (lit.)
• density: 0.931 g/mL at 25 °C (lit.)
• application(s): cleaning products; cosmetics; flavors and fragrances; food and beverages; personal care
• format: neat
• 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

Application

4-Hydroxy-4-methyl-2-pentanone may be used as an internal standard in the analysis of volatile odor-active compounds present in wine using solid phase extraction with gas chromatography (SPE-GC).

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

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