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Merck
CN

00770

Sigma-Aldrich

2,5-己二酮

puriss. p.a., ≥99.0%

别名:

双丙酮

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About This Item

线性分子式:
CH3COCH2CH2COCH3
CAS号:
分子量:
114.14
Beilstein:
506525
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22

蒸汽压

0.43 mmHg ( 20 °C)

质量水平

等级

puriss. p.a.

方案

≥99.0% (GC)
≥99.0%

杂质

≤0.1% water

折射率

n20/D 1.425 (lit.)
n20/D 1.425

沸点

191 °C (lit.)

mp

−6-−5 °C (lit.)

密度

0.973 g/mL at 25 °C (lit.)

痕量阳离子

Ca: ≤5 mg/kg
Cd: ≤1 mg/kg
Co: ≤1 mg/kg
Cr: ≤1 mg/kg
Cu: ≤1 mg/kg
Fe: ≤1 mg/kg
K: ≤20 mg/kg
Mg: ≤1 mg/kg
Mn: ≤1 mg/kg
Na: ≤20 mg/kg
Ni: ≤1 mg/kg
Pb: ≤1 mg/kg
Zn: ≤1 mg/kg

SMILES字符串

CC(=O)CCC(C)=O

InChI

1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3

InChI key

OJVAMHKKJGICOG-UHFFFAOYSA-N

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一般描述

2,5-Hexanedione (2,5HD) is a major metabolite of methyl n-butyl ketone. It is neurotoxic in nature and is water soluble.

应用

It was used as reference standard for the determination of 2,5HD in human urine using gas chromatography-electron capture detection and gas chromatography-mass selective detection.

象形图

Health hazardExclamation mark

警示用语:

Warning

危险分类

Acute Tox. 4 Oral - Eye Irrit. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2

靶器官

Nervous system

储存分类代码

10 - Combustible liquids

WGK

WGK 2

闪点(°F)

174.2 °F - closed cup

闪点(°C)

79 °C - closed cup

个人防护装备

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

法规信息

新产品

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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P S Spencer et al.
Journal of neurology, neurosurgery, and psychiatry, 38(8), 771-775 (1975-08-01)
Chronic exposure of rats to 2,5-hexanedione (CH3COCH2CH2COCH3), a major metabolite of the neurotoxic industrial solvent methyl n-buryl ketone (CH3COCH2CH2CH2CH3), has been shown to cause a clinical peripheral neuropathy with dying-back peripheral and central nervous system degeneration characterized by giant axonal
Gas chromatographic method for the sensitive determination of 2, 5-hexanedione using electron capture and mass-selective detection.
Konidari, C. N., C. D. Stalikas, and M. I. Karayannis
Analytica Chimica Acta, 442.2, 231-239 (2001)
Sara E Pacheco et al.
PloS one, 7(8), e44280-e44280 (2012-09-07)
Current human reproductive risk assessment methods rely on semen and serum hormone analyses, which are not easily comparable to the histopathological endpoints and mating studies used in animal testing. Because of these limitations, there is a need to develop universal
Elizaveta V Saenko et al.
The Journal of chemical physics, 135(10), 101103-101103 (2011-09-22)
The radical anion resulting from electron capture by diacetonyl molecule has been characterized by EPR and optical absorption spectroscopy in glassy ether matrices at 77 K. In non-polar alkane glasses this species was not observed under the same conditions, which
Anthony P DeCaprio et al.
Journal of toxicology and environmental health. Part A, 72(14), 861-869 (2009-06-27)
2,5-Hexanedione (HD) is the metabolite implicated in n-hexane neurotoxicity. This gamma-diketone reacts with protein lysine amines to form 2,5-dimethylpyrrole adducts. Pyrrole adduction of neurofilaments (NF) and/or other axonal proteins was proposed as a critical step in the neuropathy. While pyrrole

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