15972
2,5-己二酮
analytical standard
别名:
双丙酮
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关于此项目
线性分子式:
CH3COCH2CH2COCH3
化学文摘社编号:
分子量:
114.14
UNSPSC Code:
41116107
NACRES:
NA.24
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
grade
analytical standard
vapor pressure
0.43 mmHg ( 20 °C)
assay
≥99.5% (GC)
shelf life
limited shelf life, expiry date on the label
technique(s)
HPLC: suitable, gas chromatography (GC): suitable
Quality Level
bp
191 °C (lit.)
mp
−6-−5 °C (lit.)
density
0.973 g/mL at 25 °C (lit.)
application(s)
environmental
format
neat
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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.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Other Notes
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.
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
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
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
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
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