P7754
乙酰丙酮
ReagentPlus®, ≥99%
别名:
2,4-戊二酮
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关于此项目
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)
vapor density
3.5 (vs air)
Quality Level
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.)
SMILES string
CC(=O)CC(C)=O
InChI
1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
InChI key
YRKCREAYFQTBPV-UHFFFAOYSA-N
Gene Information
human ... ACHE(43), BCHE(590), CES1(1066)
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。
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。
Packaging
玻璃瓶封装
Legal Information
ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany
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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
危险化学品
此项目有
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
Robert M Edkins et al.
Dalton transactions (Cambridge, England : 2003), 40(38), 9672-9678 (2011-07-08)
Herein we report the synthesis and photophysical study of tris-heteroleptic complexes of the general formula IrLL'(acac), where L and L' are two differently substituted 2-phenylpyridines (ppyH) and acacH is 2,4-pentanedione, using a combinatorial approach that could be employed for many
全球贸易项目编号
| 货号 | GTIN |
|---|---|
| P7754-100ML-A | 04061834397304 |
| P7754-500MG | 04061834397335 |
| P7754-1L-A | 04061837230462 |
| P7754-1G | 04061826757765 |
| P7754-500ML-A | 04061834397359 |