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About This Item
Linear Formula:
CH3CH2COCOCH3
CAS Number:
Molecular Weight:
100.12
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
209-984-8
Beilstein/REAXYS Number:
1699638
MDL number:
Assay:
97%
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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signalword
Danger
hcodes
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
Regulatory Information
危险化学品
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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
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 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
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 241962-25G | 04061825477619 |
| 241962-100G | 04061825477596 |