What is the Acetonylacetone?

Acetonylacetone is clear slight brown liquid, while it's Molecular Formula is C6H10O2. clear slight brown liquid 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.

What is the CAS number for Acetonylacetone?

The CAS number of Acetonylacetone is 110-13-4.

What is Acetonylacetone (110-13-4) used for?

Acetonylacetone, also known as 2,5-hexanedione, is a diketone that is hexane substituted by oxo groups at positions 2 and 5. It is a toxic metabolite of hexane and of 2-hexanone, and is characterized as a clear colorless to amber liquid with a sweet aromatic odor.InChI:InChI=1/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3

What is the Acetonylacetone?

Acetonylacetone is clear slight brown liquid, while it's Molecular Formula is C6H10O2. clear slight brown liquid 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.

What is the CAS number for Acetonylacetone?

The CAS number of Acetonylacetone is 110-13-4.

What is Acetonylacetone (110-13-4) used for?

Acetonylacetone, also known as 2,5-hexanedione, is a diketone that is hexane substituted by oxo groups at positions 2 and 5. It is a toxic metabolite of hexane and of 2-hexanone, and is characterized as a clear colorless to amber liquid with a sweet aromatic odor.InChI:InChI=1/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3

Product classification

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2,5-Hexanedione

Product Name: 2,5-Hexanedione
CAS: 110-13-4
Purity:
Appearance: clear slight brown liquid

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Product Details

Factory Supply industrial standard 2,5-Hexanedione 110-13-4 In Stock

Molecular Formula:C6H10O2
Molecular Weight:114.144
Appearance/Colour:clear slight brown liquid
Vapor Pressure:0.43 mm Hg ( 20 °C)
Melting Point:-6―-5 °C(lit.)
Refractive Index:n20/D 1.425(lit.)
Boiling Point:188.8 °C at 760 mmHg
Flash Point:78.9 °C
PSA：34.14000
Density:0.973 g/cm³
LogP:0.94460

Acetonylacetone(Cas 110-13-4) Usage

Synthesis	2,5-Hexanedione has been prepared in several ways. A common method involves hydrolysis of 2,5-dimethylfuran, a glucose derived heterocycle.
Mechanism of Toxicity	Identification of 2,5-hexanedione as the major neurotoxic metabolite of n-hexane proceeded rapidly after its discovery as a urinary metabolite. 2,5-Hexanedione has been found to produce a polyneuropathy indistinguishable from n-hexane. 2,5-Hexanedione is many times more potent than n-hexane, the parent compound, in causing neurotoxicity in experimental animals. It appears that the neurotoxicity of 2,5-hexanedione resides in its γ-diketone structure since 2,3-, 2,4-hexanedione and 2,6-heptanedione are not neurotoxic, while 2,5-heptanedione and 3,6-octanedione and other γ-diketones are neurotoxic.
Synthesis Reference(s)	Canadian Journal of Chemistry, 59, p. 945, 1981 DOI: 10.1139/v81-137Journal of the American Chemical Society, 105, p. 7200, 1983 DOI: 10.1021/ja00362a047Tetrahedron Letters, 15, p. 4149, 1974
Air & Water Reactions	Highly flammable. Water soluble.
Reactivity Profile	Acetonylacetone is incompatible with oxidizing agents. Acetonylacetone is also incompatible with strong bases and strong reducing agents.
Fire Hazard	Acetonylacetone is combustible.
Purification Methods	Purify it by dissolving in Et2O, stiring with K2CO3 (a quarter of the weight of dione), filtering, drying over anhydrous Na2SO4 (not CaCl2), filtering again, evaporating the filtrate and distilling it in a vacuum. It is then redistilled through a 30cm Vigreux column (p 11, oil bath temperature 150o). It is miscible with H2O and EtOH. The dioxime has m 137o (plates from *C6H6), the mono-oxime has b 130o/11mm, and the 2,4-dinitrophenylhydrazone has m 210-212o (red needles from EtOH). It forms complexes with many metals. [Werner et al. Chem Ber 22 2100 1989, for enol content see Gero J Org Chem 19 1960 1954, Beilstein 1 IV 3688.]
Definition	ChEBI: A diketone that is hexane substituted by oxo groups at positions 2 and 5. It is a toxic metabolite of hexane and of 2-hexanone
General Description	Clear colorless to amber liquid with a sweet aromatic odor.

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

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Paragraph 0031-0053, (2021/06/22)

The invention discloses a method for pre...

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Page/Page column 14-15, (2021/05/19)

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110-13-4 Process route

: 2935-44-6
hexane-2,5-diol

: 1003-38-9
2,5-dimethyltetrahydrofuran

: 1757-42-2,6195-92-2
3-methyl-cyclopentanone

: 110-13-4
2,5-hexanedione

Conditions

Conditions	Yield
at 200 ℃;

: 2935-44-6
hexane-2,5-diol

: 1003-38-9
2,5-dimethyltetrahydrofuran

: 110-13-4
2,5-hexanedione