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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:
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.
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
新产品
此项目有
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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