Skip to Content
Merck
All Photos(2)

Key Documents

View All Documentation

Safety Information

241962

Sigma-Aldrich

2,3-Pentanedione

97%

Synonym(s):

Acetylpropionyl

Sign Into View Organizational & Contract Pricing
All Photos(2)

About This Item

Linear Formula:
CH3CH2COCOCH3
CAS Number:
600-14-6
Molecular Weight:
100.12
Beilstein:
1699638
EC Number:
209-984-8
MDL number:
MFCD00009313
UNSPSC Code:
12352100
PubChem Substance ID:
24854523
NACRES:
NA.22

Quality Level

100

Assay

97%

refractive index

n20/D 1.404 (lit.)

bp

110-112 °C (lit.)

mp

−52 °C (lit.)

density

0.957 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

CCC(=O)C(C)=O

InChI

1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3

InChI key

TZMFJUDUGYTVRY-UHFFFAOYSA-N

Gene Information

human ... ACHE(43) , BCHE(590) , CES1(1066)

Looking for similar products? Visit Product Comparison Guide

General description

2,3-Pentanedione (acetylpropionyl) is one of the aroma active compounds of cereal coffee brew.

Application

2,3-Pentanedione can be used as a reactant to synthesize:
  • Bisphenol derivatives by acid-catalyzed condensation reaction with phenols.
  • 2-Ethyl-3-methyl-1H-indole by Pd-catalyzed reaction with aniline under reductive conditions.
  • 2-Ethyl-3-methylquinoxaline by condensation reaction with o-phenylenediamine using citric acid as a catalyst.

Signal Word

Danger

Hazard Statements

H225,H317,H373

Hazard Classifications

Flam. Liq. 2 - Skin Sens. 1B - STOT RE 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

66.2 °F - open cup

Flash Point(C)

19 °C - open cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 1 petroleums
Hazardous rank II
Water insoluble liquid

JAN Code

241962-BULK:
241962-VAR:
241962-25G:
241962-100G:

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MKBB7504V
STBB3548V
STBB3548
STBB1770
MKBB7504

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

Regioselective synthesis of renewable bisphenols from 2, 3-pentanedione and their application as plasticizers
Schutyser W, et al.
Green Chemistry, 16(4), 1999-2007 (2014)
Małgorzata A Majcher et al.
Journal of agricultural and food chemistry, 61(11), 2648-2654 (2013-02-19)
Cereal coffee is a coffee substitute made mainly from roasted cereals such as barley and rye (60-70%), chicory (15-20%), and sugar beets (6-10%). It is perceived by consumers as a healthy, caffeine free, non-irritating beverage suitable for those who cannot
J Carballo et al.
The Italian journal of biochemistry, 42(2), 79-89 (1993-03-01)
L-glycol dehydrogenase from Enterobacter aerogenes shows a high affinity by NADH (Ks = 2-4 microM; Km = 4.3-9.7 microM), which indicates that it must operate in vivo saturated with this coenzyme. Michaelis and dissociation constants for the reduction of the
V A Yaylayan et al.
Journal of agricultural and food chemistry, 47(8), 3280-3284 (1999-12-20)
Model studies using independently labeled D-[(13)C]glucoses and L-[(13)C]alanines have indicated that 2,3-butanedione is formed by a single pathway involving only glucose carbon atoms, whereas 2, 3-pentanedione is formed by two pathways, one involving glucose carbon atoms (10%) and the other
J H Chou et al.
Genetics, 157(1), 211-224 (2001-01-05)
Caenorhabditis elegans odr-2 mutants are defective in the ability to chemotax to odorants that are recognized by the two AWC olfactory neurons. Like many other olfactory mutants, they retain responses to high concentrations of AWC-sensed odors; we show here that
View All Related Papers

Protocols

GC Analysis of Volatiles in Roasted Coffee Beans on Omegawax® after SPME using a 50/30 µm DVB/Carboxen/PDMS Fiber

-Cymene; 2,5-Dimethylpyrrole; Acetoin, ≥96%, FCC, FG; 2,5-Dimethylpyrazine; 2,6-Dimethylpyrazine; 2-Ethylpyrazine, ≥98%, FG; 2,3-Dimethylpyrazine; 4-Heptanone; 3-Ethylpyridine; 2,3,5-Trimethylpyrazine; Furfural; Pyrrole; Furfuryl acetate; Linalool; Linalyl acetate; 5-Methylfurfural; γ-Butyrolactone; 2-Acetyl-1-methylpyrrole; Furfuryl alcohol; 2-Acetylpyrrole; Pyrrole-2-carboxaldehyde

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