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Acetonylacetone

analytical standard

Synonyme(s) :

Acetonylacetone

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About This Item

Formule linéaire :
CH3COCH2CH2COCH3
Numéro CAS:
110-13-4
Poids moléculaire :
114.14
Numéro Beilstein :
506525
Numéro CE :
203-738-3
Numéro MDL:
MFCD00008792
Code UNSPSC :
41116107
ID de substance PubChem :
329751015
Nomenclature NACRES :
NA.24

Qualité

analytical standard

Niveau de qualité

100

Pression de vapeur

0.43 mmHg ( 20 °C)

Pureté

≥99.5% (GC)

Durée de conservation

limited shelf life, expiry date on the label

Technique(s)

HPLC: suitable
gas chromatography (GC): suitable

Indice de réfraction

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

Point d'ébullition

191 °C (lit.)

Pf

−6-−5 °C (lit.)

Densité

0.973 g/mL at 25 °C (lit.)

Application(s)

environmental

Format

neat

Chaîne SMILES 

CC(=O)CCC(C)=O

InChI

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

Clé InChI

OJVAMHKKJGICOG-UHFFFAOYSA-N

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Description générale

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.

Produits recommandés

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.

Pictogrammes

Health hazardExclamation mark
GHS08,GHS07

Mention d'avertissement

Warning

Mentions de danger

H302,H315,H319,H361f,H373

Classification des risques

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

Organes cibles

Nervous system

Code de la classe de stockage

10 - Combustible liquids

Classe de danger pour l'eau (WGK)

WGK 2

Point d'éclair (°F)

174.2 °F - closed cup

Point d'éclair (°C)

79 °C - closed cup

Équipement de protection individuelle

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

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Certificats d'analyse (COA)

Lot/Batch Number
BCCF5648
BCBZ5111
BCBW3325
BCBQ2447V
BCBL3174V

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Retrouvez la documentation relative aux produits que vous avez récemment achetés dans la Bibliothèque de documents.

Consulter la Bibliothèque de documents

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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