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78891

Supelco

4-Hydroxy-4-methyl-2-pentanone

analytical standard

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Synonym(s):
Diacetone alcohol
Linear Formula:
(CH3)2C(OH)CH2COCH3
CAS Number:
Molecular Weight:
116.16
Beilstein/REAXYS Number:
1740440
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.24

grade

analytical standard

Quality Level

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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1 of 4

This Item
497227295477597
vibrant-m

78891

4-Hydroxy-4-methyl-2-pentanone

vibrant-m

49722

4-Methyl-3-penten-2-one

vibrant-m

72954

1-Heptanol

vibrant-m

77597

1-Pentanol

format

neat

format

neat

format

neat

format

neat

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

application(s)

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

application(s)

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

vapor density

4 (vs air)

vapor density

-

vapor density

-

vapor density

3 (vs air)

vapor pressure

<1 mmHg ( 20 °C)

vapor pressure

-

vapor pressure

0.5 mmHg ( 20 °C)

vapor pressure

1 mmHg ( 13.6 °C), 1.5 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).
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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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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