05581
乙酰丙酮
analytical standard
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.24
PubChem Substance ID:
eCl@ss:
39021208
UNSPSC Code:
41116107
EC Number:
204-634-0
MDL number:
Beilstein/REAXYS Number:
741937
InChI key
YRKCREAYFQTBPV-UHFFFAOYSA-N
InChI
1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
SMILES string
CC(=O)CC(C)=O
grade
analytical standard
vapor density
3.5 (vs air)
vapor pressure
6 mmHg ( 20 °C)
assay
≥99.6% (GC)
autoignition temp.
662 °F
shelf life
limited shelf life, expiry date on the label
expl. lim.
11.4 %
technique(s)
HPLC: suitable, gas chromatography (GC): suitable
Quality Level
refractive index
n20/D 1.452
bp
140.4 °C (lit.)
mp
−23 °C (lit.)
solubility
H2O: soluble
density
0.975 g/mL at 25 °C (lit.)
application(s)
cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care
format
neat
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General description
乙酰丙酮是 β-二酮，含两个羰基和一个活性亚甲基。
Application
乙酰丙酮用作挥发性洗脱液改性剂，在用超高压-液相色谱-电喷雾串联质谱法（UHPLC-ESI-MS）定量能量代谢物时，可补救金属阳离子造成的不利影响。也用作醛的衍生剂。(3
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
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
危险化学品
此项目有
Controlling detrimental effects of metal cations in the quantification of energy metabolites via ultrahigh pressure-liquid chromatography-electrospray-tandem mass spectrometry by employing acetylacetone as a volatile eluent modifier
Siegel D, et al.
Journal of Chromatography A, 1294(2), 87-97 (2013)
2, 4-pentanedione
Ballantyne B
Journal of Applied Toxicology, 21(2), 165-171 (2001)
Automatized flow-batch method for fluorescent determination of free glycerol in biodiesel samples using on-line extraction
Lima MB, et al.
Talanta, 89(2), 21-26 (2012)
Liquid-phase microextraction with in-drop derivatization combined with microvolume fluorospectrometry for free and hydrolyzed formaldehyde determination in textile samples
Saenz M, et al.
Analytica Chimica Acta, 687(1), 50-55 (2011)
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
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