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Merck
CN

00770

2,5-己二酮

puriss. p.a., ≥99.0%

别名:

双丙酮

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线性分子式:
CH3COCH2CH2COCH3
化学文摘社编号:
分子量:
114.14
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
203-738-3
Beilstein/REAXYS Number:
506525
MDL number:
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InChI key

OJVAMHKKJGICOG-UHFFFAOYSA-N

InChI

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

SMILES string

CC(=O)CCC(C)=O

vapor pressure

0.43 mmHg ( 20 °C)

grade

puriss. p.a.

assay

≥99.0% (GC), ≥99.0%

impurities

≤0.1% water

Quality Level

bp

191 °C (lit.)

mp

−6-−5 °C (lit.)

density

0.973 g/mL at 25 °C (lit.)

cation traces

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

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General description

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

Application

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.

pictograms

Health hazardExclamation mark

signalword

Warning

Hazard Classifications

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

target_organs

Nervous system

存储类别

10 - Combustible liquids

wgk

WGK 2

flash_point_f

174.2 °F - closed cup

flash_point_c

79 °C - closed cup

ppe

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

法规信息

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分析证书(COA)

Lot/Batch Number

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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)
Antônio Felipe F Oliveira et al.
Journal of analytical toxicology, 33(4), 223-228 (2009-05-28)
2,5-Hexanedione (2,5-HD) is the most important metabolite of n-hexane and methyl ethyl ketone in human urine. Urinary 2,5-HD is used as a biomarker for biological monitoring of workers exposed to n-hexane. A simple method using headspace solid-phase microextraction (HS-SPME) and
Sarah N Campion et al.
Toxicological sciences : an official journal of the Society of Toxicology, 117(2), 457-465 (2010-07-10)
Sertoli cells are essential for testicular germ cell maintenance and survival. We made the unexpected observation that x-radiation (x-ray)-induced germ cell loss is attenuated by co-exposure with the Sertoli cell toxicant 2,5-hexanedione (HD). The mechanisms underlying this attenuation of germ
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
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

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