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P7754

Sigma-Aldrich

乙酰丙酮

ReagentPlus®, ≥99%

同義詞:

2,4-戊二酮

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About This Item

線性公式:
CH3COCH2COCH3
CAS號碼:
123-54-6
分子量：:
100.12
Beilstein:
741937
EC號碼:
204-634-0
MDL號碼:
MFCD00008787
分類程式碼代碼:
12352115
eCl@ss:
39021208
PubChem物質ID:
329820317
NACRES:
NA.21
bp:
140.4 °C (lit.)
暫時無法取得訂價和供貨情況

蒸汽密度

3.5 (vs air)

品質等級

200

蒸汽壓力

6 mmHg ( 20 °C)

產品線

ReagentPlus®

化驗

≥99%

形狀

liquid

自燃溫度

662 °F

expl. lim.

11.4 %

dilution

(for general lab use)

折射率

n20/D 1.452 (lit.)

pH值

6 (20 °C, 200 g/L)

bp

140.4 °C (lit.)

mp

−23 °C (lit.)

密度

0.975 g/mL at 25 °C (lit.)

SMILES 字串

CC(=O)CC(C)=O

InChI

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

InChI 密鑰

YRKCREAYFQTBPV-UHFFFAOYSA-N

基因資訊

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

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相關類別

一般說明

乙酰丙酮（2,4-戊二酮）是一种含有两个羰基和一个活性亚甲基的有机化合物。它主要用作合成各种化学衍生物的中间体。它还可用作聚烯烃的改性剂、缓蚀剂和放射性示踪剂标记。

應用

乙酰丙酮可用作：
  • 多功能配体，用于金纳米颗粒（AuNP）的合成和可行功能化。
  • 反应物，通过与乙酰乙酸甲酯和 Morita-Baylis-Hillman 醋酸盐反应合成 9,10-二氢吖啶。
  • 试剂，通过 Zr(OC3H7n)4 水解合成 ZrO2（二氧化锆）。乙酰丙酮可控制烷氧化物的水解和缩合速率，从而控制氧化物的成核和生长速率。

包裝

玻璃瓶封装

法律資訊

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

象形圖

FlameSkull and crossbones
GHS02,GHS06

訊號詞

Danger

危險分類

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 3

儲存類別代碼

3 - Flammable liquids

水污染物質分類（WGK）

WGK 1

閃點（°F）

95.0 °F - closed cup

閃點（°C）

35 °C - closed cup

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分析證明 (COA)

Lot/Batch Number
SDBB2943
STBL1280
STBK6143
STBK9761
STBK3429

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Heaweon Park et al.
Inorganic chemistry, 50(23), 11978-11989 (2011-11-01)
A series of high-spin iron(II) β-diketonato complexes have been prepared and characterized with the intent of modeling the substrate-bound form of the enzyme acetylacetone dioxygenase (Dke1). The Dke1 active site features an Fe(II) center coordinated by three histidine residues in
Rolando R Lozada-García et al.
Physical chemistry chemical physics : PCCP, 14(10), 3450-3459 (2012-02-07)
The photochemistry of the chelated enol form of acetylacetone (AcAc) was investigated by UV excitation of the S(2) state at 266 nm in parahydrogen matrices, complemented by experiments in neon and normal hydrogen matrices. Infrared (IR) spectroscopy, combined with theoretical
Zhenkun Sun et al.
Journal of the American Chemical Society, 134(42), 17653-17660 (2012-10-02)
The organization of different nano objects with tunable sizes, morphologies, and functions into integrated nanostructures is critical to the development of novel nanosystems that display high performances in sensing, catalysis, and so on. Herein, using acetylacetone as a chelating agent
Giuliano Alagona et al.
Physical chemistry chemical physics : PCCP, 12(35), 10173-10188 (2010-08-03)
The catalytic effect of explicit water molecules on the keto-enol tautomerism in a system of biological interest (enolpyruvate) has been investigated at the B3LYP/6-31++G** level by exploring the potential energy surface in the presence of 1 or 2 water molecules
Ivelina Georgieva et al.
Journal of molecular modeling, 18(6), 2409-2422 (2011-10-13)
Theoretical and spectroscopic studies of a series of monomeric and dimeric complexes formed through the modification of a zirconium butoxide precursor with acetylacetone and subsequent hydrolysis and/or condensation have been performed by applying DFT/B3LYP/6-31++G(d) and highly accurate RI-ADC(2) methods as
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  1. How is shipping temperature determined? And how is it related to the product storage temperature?

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    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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  2. 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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