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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)
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
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
Sarah N Campion et al.
Toxicological sciences : an official journal of the Society of Toxicology, 117(2), 466-474 (2010-07-10)
Germ cell apoptosis directly induced by x-radiation (x-ray) exposure is stage specific, with a higher incidence in stage II/III seminiferous tubules. A priming exposure to the Sertoli cell toxicant 2,5-hexanedione (HD) results in a marked reduction in x-ray-induced germ cell
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

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