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Sigma-Aldrich

2,3-Pentanedione

97%

Synonym(s):

Acetylpropionyl

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€37.50
100 G
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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

€37.50

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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)

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General description

2,3-Pentanedione (acetylpropionyl) is one of the aroma active compounds of cereal coffee brew[1].

Application

2,3-Pentanedione can be used as a reactant to synthesize:
  • Bisphenol derivatives by acid-catalyzed condensation reaction with phenols.[2]
  • 2-Ethyl-3-methyl-1H-indole by Pd-catalyzed reaction with aniline under reductive conditions.[3]
  • 2-Ethyl-3-methylquinoxaline by condensation reaction with o-phenylenediamine using citric acid as a catalyst.[4]

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

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Certificates of Analysis (COA)

Lot/Batch Number
SHBR0781
SHBQ7611
MKBB7504V
STBB3548V
STBB3548

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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
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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Questions

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  1. How can I determine the shelf life / expiration / retest date of this product?

    1 answer

    1. If this product has an expiration or retest date, it will be shown on the Certificate of Analysis (COA, CofA). If there is no retest or expiration date listed on the product's COA, we do not have suitable stability data to determine a shelf life. For these products, the only date on the COA will be the release date; a retest, expiration, or use-by-date will not be displayed.
      For all products, we recommend handling per defined conditions as printed in our product literature and website product descriptions. We recommend that products should be routinely inspected by customers to ensure they perform as expected.
      For products without retest or expiration dates, our standard warranty of 1 year from the date of shipment is applicable.
      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/449/386/product-dating-information-mk.pdf

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  2. How is shipping temperature determined? And how is it related to the product storage temperature?

    1 answer

    1. Products may be shipped at a different temperature than the recommended long-term storage temperature. If the product quality is sensitive to short-term exposure to conditions other than the recommended long-term storage, it will be shipped on wet or dry-ice. If the product quality is NOT affected by short-term exposure to conditions other than the recommended long-term storage, it will be shipped at ambient temperature. As shipping routes are configured for minimum transit times, shipping at ambient temperature helps control shipping costs for our customers. For more information, please refer to the Storage and Transport Conditions document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/316/622/storage-transport-conditions-mk.pdf

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