Skip to Content
Merck
CN

78891

4-Hydroxy-4-methyl-2-pentanone

analytical standard

Synonym(s):

Diacetone alcohol

Sign In to View Organizational & Contract Pricing.

Select a Size

About This Item

Linear Formula:
(CH3)2C(OH)CH2COCH3
CAS Number:
123-42-2
Molecular Weight:
116.16
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
329768191
EC Number:
204-626-7
Beilstein/REAXYS Number:
1740440
MDL number:
MFCD00004471

Key Documents

View All Documentation
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

Product Name

4-Hydroxy-4-methyl-2-pentanone, analytical standard

InChI key

SWXVUIWOUIDPGS-UHFFFAOYSA-N

InChI

1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3

SMILES string

CC(=O)CC(C)(C)O

grade

analytical standard

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

Quality Level

100

Looking for similar products? Visit Product Comparison Guide

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

WGK 1

flash_point_f

136.4 °F - closed cup

flash_point_c

58 °C - closed cup

Regulatory Information

危险化学品
This item has

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
BCCP1290
BCCK2970
BCCK9419
BCCF5965
BCCC6805

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

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)

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service