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Merck

241962

2,3-Pentanedione

97%

Synonym(s):

Acetylpropionyl

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About This Item

Linear Formula:
CH3CH2COCOCH3
CAS Number:
600-14-6
Molecular Weight:
100.12
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24854523
EC Number:
209-984-8
Beilstein/REAXYS Number:
1699638
MDL number:
MFCD00009313
Assay:
97%

Key Documents

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InChI key

TZMFJUDUGYTVRY-UHFFFAOYSA-N

InChI

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

SMILES string

CCC(=O)C(C)=O

assay

97%

Quality Level

100

Gene Information

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

bp

110-112 °C (lit.)

mp

−52 °C (lit.)

density

0.957 g/mL at 25 °C (lit.)

functional group

ketone

storage temp.

2-8°C

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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.

signalword

Danger

Hazard Classifications

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

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

66.2 °F - open cup

flash_point_c

19 °C - open cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
SHBR0781
SHBQ7611
MKBB7504V
STBB3548V
STBB3548

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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
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)
Qinoxaline II. A practical efficient and rapid synthesis of new quinoxalines catalyzed by citric acid as a trifunctional Bronsted acid at room temperature under green condition
Sajjadifar S, et al.
International Journal of ChemTech Research, 5(1), 422-429 (2013)
[(S)-BINAP] PdBr2-catalyzed direct synthesis of 2, 3-disubstituted indoles via a tandem reaction between arylamines and α-diketones
Cabrera A, et al.
Tetrahedron Letters, 52(50), 6758-6762 (2011)
Yeongkwon Son et al.
International journal of environmental research and public health, 17(16) (2020-08-09)
Health impacts of electronic cigarette (e-cigarette) vaping are associated with the harmful chemicals emitted from e-cigarettes such as carbonyls. However, the levels of various carbonyl compounds under real-world vaping conditions have been understudied. This study evaluated the levels of carbonyl
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