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78891

Supelco

4-Hydroxy-4-methyl-2-pentanone

analytical standard

Synonym(s):

Diacetone alcohol

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About This Item

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

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

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Related Categories

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.

signalword

Warning

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

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Certificates of Analysis (COA)

Lot/Batch Number

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Organic Building Blocks of the Chemical Industry (1989)
Determination of minor and trace volatile compounds in wine by solid-phase extraction and gas chromatography with mass spectrometric detection.
Lopez, et al.
Journal of Chromatography A, 966(1-2), 167-177 (2002)

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