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15972

Supelco

Acetonylacetone

analytical standard

Sinónimos:

Acetonylacetone

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About This Item

Fórmula lineal:
CH3COCH2CH2COCH3
Número de CAS:
110-13-4
Peso molecular:
114.14
Beilstein/REAXYS Number:
506525
EC Number:
203-738-3
MDL number:
MFCD00008792
UNSPSC Code:
41116107
PubChem Substance ID:
329751015
NACRES:
NA.24

grade

analytical standard

Quality Level

100

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

refractive index

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

bp

191 °C (lit.)

mp

−6-−5 °C (lit.)

density

0.973 g/mL at 25 °C (lit.)

application(s)

environmental

format

neat

SMILES string

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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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.

Recommended products

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.

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Warning

Hazard Classifications

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

target_organs

Nervous system

Storage Class

10 - Combustible liquids

wgk_germany

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

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Certificados de análisis (COA)

Lot/Batch Number
BCCF5648
BCBZ5111
BCBW3325

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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
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)
Hideki Yamasaki et al.
Toxicological sciences : an official journal of the Society of Toxicology, 117(2), 449-456 (2010-07-10)
In the testis, developing germ cells are dependent on supportive physical and paracrine interactions with Sertoli cells. The intimate nature of this relationship is demonstrated by the fact that a toxic insult compromising the stability of Sertoli cells will have
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
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