4-Hydroxy-4-methyl-2-pentanone

SIAL/78891 - analytical standard

Synonym: Diacetone alcohol

CAS Number: 123-42-2
Empirical Formula (Hill Notation): C₆H₁₂O₂
Molecular Weight: 116.16
EC Number: 204-626-7
MDL Number: MFCD00004471
Linear Formula: (CH₃)₂C(OH)CH₂COCH₃
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-78891-5ML	5 mL	$320.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

application(s)	cleaning products cosmetics flavors and fragrances food and beverages personal care
assay	≥98.5% (GC)
bp	166 °C (lit.)
density	0.931 g/mL at 25 °C (lit.)
expl. lim.	6.9 %
format	neat
grade	analytical standard
impurities	≤0.5% water
InChI	1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
InChI key	SWXVUIWOUIDPGS-UHFFFAOYSA-N
Quality Level	100
refractive index	n20/D 1.423 (lit.)
shelf life	limited shelf life, expiry date on the label
SMILES string	CC(=O)CC(C)(C)O
technique(s)	gas chromatography (GC): suitable
	HPLC: suitable
vapor density	4 (vs air)
vapor pressure	<1 mmHg ( 20 °C)

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

Symbol	GHS02,GHS07
Signal word	Warning
Hazard statements	H226 - H319
Precautionary statements	P210 - P305 + P351 + P338
Hazard Codes	Xi
Risk Statements	36
Safety Statements	24/25
RIDADR	UN1148 - class 3 - PG 3 - Diacetone alcohol
WGK Germany	WGK 1
Flash Point(F)	136.4 °F - DIN 51755 Part 1
Flash Point(C)	58 °C - DIN 51755 Part 1

Purity	≥98.5% (GC)
bp	166 °C (lit.)
Density	0.931 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.423 (lit.)
UNSPSC	85151701

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