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线性分子式:
(CH3CH2CH2)2CO
化学文摘社编号:
分子量:
114.19
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
204-608-9
Beilstein/REAXYS Number:
1699049
MDL number:
Assay:
98%
InChI key
HCFAJYNVAYBARA-UHFFFAOYSA-N
InChI
1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3
SMILES string
CCCC(=O)CCC
vapor density
3.93 (vs air)
vapor pressure
5.2 mmHg ( 20 °C)
assay
98%
Quality Level
bp
145 °C (lit.)
mp
−33 °C (lit.)
solubility
H2O: insoluble, alcohol: soluble, diethyl ether: soluble
density
0.817 g/mL at 25 °C (lit.)
functional group
ketone
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General description
4-庚酮是人体尿液中的挥发性成分 。
Application
4-庚酮用于气相色谱-质谱法定量分析尿样中的 4-庚酮 。4-庚酮被用于评价来自 荧光假单胞菌 ACB 的 4-羟基苯乙酮单加氧酶的对映选择性和催化能力 。
Biochem/physiol Actions
4-庚酮是主要的 β-邻苯二甲酸二(2-乙基己基)酯(聚氯乙烯产品中使用的增塑剂)在人体内的氧化代谢物 。
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Inhalation - Flam. Liq. 3
存储类别
3 - Flammable liquids
wgk
WGK 2
flash_point_f
120.2 °F - closed cup
flash_point_c
49 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
危险化学品
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Nanne M Kamerbeek et al.
Applied and environmental microbiology, 69(1), 419-426 (2003-01-07)
The 4-hydroxyacetophenone monooxygenase (HAPMO) from Pseudomonas fluorescens ACB catalyzes NADPH- and oxygen-dependent Baeyer-Villiger oxidation of 4-hydroxyacetophenone to the corresponding acetate ester. Using the purified enzyme from recombinant Escherichia coli, we found that a broad range of carbonylic compounds that are
Hans Günther Wahl et al.
Nephrology, dialysis, transplantation : official publication of the European Dialysis and Transplant Association - European Renal Association, 19(10), 2576-2583 (2004-07-29)
There is an ongoing discussion about the risks of di(2-ethylhexyl) phthalate (DEHP) exposure for the general population as well as for specific subgroups in various medical settings. Haemodialysis patients certainly belong to the group with the highest exposure taking into
V Walker et al.
Clinica chimica acta; international journal of clinical chemistry, 306(1-2), 51-61 (2001-04-03)
4-Heptanone is a common volatile constituent of human urine and is of unknown origin. We hypothesised that it arises from in vivo beta-oxidation of 2-ethylhexanoic acid (EHA) from plasticisers, similar to formation of 3-heptanone from valproic acid. We investigated urine
Ingrid Kohl et al.
Journal of breath research, 7(1), 017110-017110 (2013-03-01)
We report on the search for low molecular weight molecules-possibly accumulated in the bloodstream and body-in the exhaled breath of uremic patients with kidney malfunction. We performed non-invasive analysis of the breath gas of 96 patients shortly before and several
Takahiro Kawasaki et al.
Diabetes care, 25(2), 353-357 (2002-01-30)
To investigate fructose metabolic changes in patients with diabetes. Serum and urinary fructose concentrations were determined in healthy subjects (n = 23) and in nondiabetic (n = 23) and diabetic patients (n = 26). Fructose was measured using our newly
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