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Supelco

2,5-Hexanedione

analytical standard

Synonym(s):

Acetonylacetone

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About This Item

Linear Formula:
CH3COCH2CH2COCH3
CAS Number:
110-13-4
Molecular Weight:
114.14
Beilstein:
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.

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Pictograms

Health hazardExclamation mark
GHS08,GHS07

Signal Word

Warning

Hazard Statements

H302,H315,H319,H361f,H373

Hazard Classifications

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

Target Organs

Nervous system

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

174.2 °F - closed cup

Flash Point(C)

79 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCF5648
BCBZ5111
BCBW3325
BCBQ2447V
BCBL3174V

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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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