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Key Documents

15972

Supelco

2,5-Hexanedione

analytical standard

Sinônimo(s):

Acetonylacetone

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About This Item

Fórmula linear:
CH3COCH2CH2COCH3
Número CAS:
Peso molecular:
114.14
Beilstein:
506525
Número CE:
Número MDL:
Código UNSPSC:
41116107
ID de substância PubChem:
NACRES:
NA.24

grau

analytical standard

Nível de qualidade

pressão de vapor

0.43 mmHg ( 20 °C)

Ensaio

≥99.5% (GC)

prazo de validade

limited shelf life, expiry date on the label

técnica(s)

HPLC: suitable
gas chromatography (GC): suitable

índice de refração

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

pb

191 °C (lit.)

pf

−6-−5 °C (lit.)

densidade

0.973 g/mL at 25 °C (lit.)

aplicação(ões)

environmental

formato

neat

cadeia de caracteres SMILES

CC(=O)CCC(C)=O

InChI

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

chave InChI

OJVAMHKKJGICOG-UHFFFAOYSA-N

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Descrição geral

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

Aplicação

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.

Produtos recomendados

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.

Pictogramas

Exclamation markHealth hazard

Palavra indicadora

Warning

Classificações de perigo

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

Órgãos-alvo

Nervous system

Código de classe de armazenamento

10 - Combustible liquids

Classe de risco de água (WGK)

WGK 2

Ponto de fulgor (°C)

79 °C

Equipamento de proteção individual

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


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Certificados de análise (COA)

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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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