P7754
乙酰丙酮
ReagentPlus®, ≥99%
别名:
2,4-戊二酮
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线性分子式:
CH3COCH2COCH3
化学文摘社编号:
分子量:
100.12
NACRES:
NA.21
PubChem Substance ID:
eCl@ss:
39021208
UNSPSC Code:
12352115
EC Number:
204-634-0
MDL number:
Beilstein/REAXYS Number:
741937
Assay:
≥99%
Bp:
140.4 °C (lit.)
Vapor pressure:
6 mmHg ( 20 °C)
产品名称
乙酰丙酮, ReagentPlus®, ≥99%
InChI
1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
InChI key
YRKCREAYFQTBPV-UHFFFAOYSA-N
SMILES string
CC(=O)CC(C)=O
vapor density
3.5 (vs air)
vapor pressure
6 mmHg ( 20 °C)
product line
ReagentPlus®
assay
≥99%
form
liquid
autoignition temp.
662 °F
expl. lim.
11.4 %
dilution
(for general lab use)
refractive index
n20/D 1.452 (lit.)
pH
6 (20 °C, 200 g/L)
bp
140.4 °C (lit.)
mp
−23 °C (lit.)
density
0.975 g/mL at 25 °C (lit.)
Quality Level
Gene Information
human ... ACHE(43), BCHE(590), CES1(1066)
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Application
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。
General description
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。
Packaging
玻璃瓶封装
Legal Information
ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 3
存储类别
3 - Flammable liquids
wgk
WGK 1
flash_point_f
95.0 °F - closed cup
flash_point_c
35 °C - closed cup
法规信息
涉药品监管产品
此项目有
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
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
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
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