241962
2,3-Pentanedione
97%
Synonym(s):
Acetylpropionyl
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About This Item
Linear Formula:
CH3CH2COCOCH3
CAS Number:
Molecular Weight:
100.12
Beilstein:
1699638
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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)
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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.
Signal Word
Danger
Hazard Statements
Precautionary Statements
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
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