Merck
CN

101745

Sigma-Aldrich

4-庚酮

98%

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别名:
乳酮, 二丙基甲酮
线性分子式:
(CH3CH2CH2)2CO
CAS号:
分子量:
114.19
Beilstein:
1699049
EC 号:
MDL编号:
PubChem化学物质编号:
NACRES:
NA.22

蒸汽密度

3.93 (vs air)

蒸汽压

5.2 mmHg ( 20 °C)

检测方案

98%

折射率

n20/D 1.407 (lit.)

bp

145 °C (lit.)

mp

−33 °C (lit.)

溶解性

H2O: insoluble
alcohol: soluble
diethyl ether: soluble

密度

0.817 g/mL at 25 °C (lit.)

SMILES字符串

CCCC(=O)CCC

InChI

1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3

InChI key

HCFAJYNVAYBARA-UHFFFAOYSA-N

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一般描述

4-庚酮是人体尿液中的挥发性成分

应用

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

生化/生理作用

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

象形图

FlameExclamation mark

警示用语:

Warning

危险声明

危险分类

Acute Tox. 4 Inhalation - Flam. Liq. 3

储存分类代码

3 - Flammable liquids

WGK

WGK 2

闪点(°F)

120.2 °F - closed cup

闪点(°C)

49 °C - closed cup

个人防护装备

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

法规信息

危险化学品

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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
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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
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
A Costa et al.
Metabolism: clinical and experimental, 51(3), 372-375 (2002-03-12)
High uric acid concentration is a common finding in subjects with risk factors for cardiovascular disease (CVD), including some characteristics of the metabolic syndrome. However, its exact role in this setting and in the progression to type 2 diabetes mellitus

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