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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%
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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.)

functional group

ketone

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)

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.

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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
29898LJ
29598LJ
00130DJ
01003DH
00506BH

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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
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Global Trade Item Number

SKUGTIN
241962-25G04061825477619
241962-100G04061825477596