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75034

Supelco

2,3-Hexanedione

analytical standard

Synonym(s):

Acetyl butyryl

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About This Item

Linear Formula:
CH3CH2CH2COCOCH3
CAS Number:
3848-24-6
Molecular Weight:
114.14
Beilstein:
1699896
EC Number:
223-350-8
MDL number:
MFCD00009398
UNSPSC Code:
85151701
PubChem Substance ID:
329766074
NACRES:
NA.24

grade

analytical standard

Quality Level

100

vapor density

3.9 (vs air)

vapor pressure

10 mmHg ( 20 °C)

Assay

≥96.0% (GC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.409
n20/D 1.412 (lit.)

bp

128 °C (lit.)

density

0.934 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

format

neat

storage temp.

2-8°C

SMILES string

CCCC(=O)C(C)=O

InChI

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

InChI key

MWVFCEVNXHTDNF-UHFFFAOYSA-N

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Application

2,3-Hexanedione may be used as an internal standard for the determination of intermediates of advanced glycation end products in the human nail using ultra-performance liquid chromatography coupled with electrospray ionization time-of-flight mass spectrometry (UPLC-ESI-TOFMS).
2,3-Hexanedione may be used as an internal standard for the quantitative determination of methylglyoxal present in the tissues of Sprague–Dawley rats using electrospray ionization liquid chromatography coupled with mass spectrometry(ESI/LC/MS).
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Pictograms

FlameHealth hazard
GHS02,GHS08

Signal Word

Warning

Hazard Statements

H226,H373

Hazard Classifications

Flam. Liq. 3 - STOT RE 2 Inhalation

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

82.4 °F - closed cup

Flash Point(C)

28 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
BCCG8754
BCCC3054
BCBV6263
BCBV2679
BCBP0344V

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Diacetyl for synthesis

Sigma-Aldrich

8.03528

Diacetyl

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42038

2,3-Butanediol

Measurement of methylglyoxal in rat tissues by electrospray ionization mass spectrometry and liquid chromatography
Randell.WE, et al.
Journal of Pharmacological and Toxicological Methods, 51(2), 153-157 (2005)
Jun Zhe Min et al.
Analytical biochemistry, 424(2), 187-194 (2012-03-03)
The resolution of the intermediate advanced glycation end products (AGEs) in the human nail was carried out by the combination of 4,5-dimethyl-1,2-phenylenediamine (DMPD) derivatives and ultra-performance liquid chromatography with electrospray ionization time-of-flight mass spectrometry (UPLC-ESI-TOF-MS). The reaction of the reagent
Molecular mechanism of hexane neuropathy: significant differences in pharmacokinetics between 2.3-, 2.4-, and 2.5-hexanedione.
K Iwasaki et al.
Industrial health, 22(3), 177-187 (1984-01-01)
Thomas R Zilz et al.
Toxicology, 231(2-3), 210-214 (2007-01-19)
The potential cytotoxicity of two hexanedione food additives (2,3 and 3,4 isomers) was evaluated in comparison with the neurotoxic hexane metabolite 2,5-hexanedione in the human SK-N-SH neuroblastoma line using the MTT assay to indicate mitochondrial dehydrogenase activity and flow cytometry
Michael D Coleman et al.
Basic & clinical pharmacology & toxicology, 102(1), 25-29 (2007-11-02)
The effects of the alpha-diketone derivatives 2,3- and 3,4-hexanediones were investigated in three non-neuronal cell lines (MCF7, HepG(2) and CaCo-2) as well as in the neuroblastoma line, SH-SY5Y. The MTT reduction assay was employed to determine the necrotic effects of
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Protocols

GC Analysis of Volatiles in Roasted Coffee Beans on Omegawax® after SPME using a 50/30 µm DVB/Carboxen/PDMS Fiber

-Cymene; 2,5-Dimethylpyrrole; Acetoin, ≥96%, FCC, FG; 2,5-Dimethylpyrazine; 2,6-Dimethylpyrazine; 2-Ethylpyrazine, ≥98%, FG; 2,3-Dimethylpyrazine; 4-Heptanone; 3-Ethylpyridine; 2,3,5-Trimethylpyrazine; Furfural; Pyrrole; Furfuryl acetate; Linalool; Linalyl acetate; 5-Methylfurfural; γ-Butyrolactone; 2-Acetyl-1-methylpyrrole; Furfuryl alcohol; 2-Acetylpyrrole; Pyrrole-2-carboxaldehyde

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