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Merck
CN

15972

Supelco

2,5-己二酮

analytical standard

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别名:
双丙酮
线性分子式:
CH3COCH2CH2COCH3
CAS号:
分子量:
114.14
Beilstein:
506525
EC 号:
MDL编号:
UNSPSC代码:
41116107
PubChem化学物质编号:
NACRES:
NA.24

等级

analytical standard

质量水平

蒸汽压

0.43 mmHg ( 20 °C)

检测方案

≥99.5% (GC)

保质期

limited shelf life, expiry date on the label

技术

HPLC: suitable
gas chromatography (GC): suitable

折射率

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

bp

191 °C (lit.)

mp

−6-−5 °C (lit.)

密度

0.973 g/mL at 25 °C (lit.)

应用

environmental

格式

neat

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.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

推荐产品

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

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

WGK

WGK 2

闪点(°F)

closed cup

闪点(°C)

closed cup

个人防护装备

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


分析证书(COA)

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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)
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
Min-Sun Kim et al.
Toxicology, 260(1-3), 97-103 (2009-05-26)
2,5-Hexanedione (HD), a metabolite of n-hexane, causes central and peripheral neuropathy leading to motor neuron deficits. Although chronic exposure to n-hexane is known to cause gradual sensorimotor neuropathy, there are no reports on the effects of low doses of HD
Yan Sun et al.
Archives of toxicology, 86(2), 205-215 (2011-09-09)
Studies have shown that 2,5-hexanedione (2,5-HD) is the main active metabolite of n-hexane in the human body. The toxicity of n-hexane and 2,5-hexanedione has been extensively researched, but toxicity to the reproductive system, especially the impact on female reproductive function
Marion Müller et al.
Organic & biomolecular chemistry, 8(7), 1540-1550 (2010-03-20)
The enantiopure (2S,5S)-hexanediol serves as a versatile building block for the production of various fine chemicals and pharmaceuticals. For industrial and commercial scale, the diol is currently obtained through bakers' yeast-mediated reduction of 2,5-hexanedione. However, this process suffers from its

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