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Merck

11038

2,3-Butanedione

analytical standard

Synonym(s):

Biacetyl, Diacetyl

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About This Item

Linear Formula:
CH3COCOCH3
CAS Number:
431-03-8
Molecular Weight:
86.09
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329749296
EC Number:
207-069-8
Beilstein/REAXYS Number:
605398
MDL number:
MFCD00008756

Product Name

2,3-Butanedione, analytical standard

InChI key

QSJXEFYPDANLFS-UHFFFAOYSA-N

InChI

1S/C4H6O2/c1-3(5)4(2)6/h1-2H3

SMILES string

CC(=O)C(C)=O

grade

analytical standard

vapor density

3 (vs air)

vapor pressure

52.2 mmHg ( 20 °C)

assay

≥99.0% (GC)

autoignition temp.

345 °C

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.394 (lit.)

bp

88 °C (lit.)

density

0.981 g/mL (lit.)

application(s)

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

format

neat

Quality Level

100

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Application

2,3-Butanedione may be used as an analytical standard for the determination of the analyte in milk and human breath samples by solid-phase microextraction and gas chromatography.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

General description

2,3-Butanedione, a volatile compound, is a product of citrate metabolism that is generally produced by certain bacteria including Lactococcus lactis ssp. diacetylactis and Leuconostoc citrovorum. It has a typical buttery flavor and is commonly found in fermented dairy products, such as sour cream, yogurt and cottage cheese.

Other Notes

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.

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Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Liq. 2 - Skin Irrit. 2 - Skin Sens. 1 - STOT RE 2 Inhalation

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

44.6 °F - closed cup

flash_point_c

7 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, Heavyweight Gloves, Safety Clothing, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
BCCN4522
BCCN4523
BCCK6334
BCCH1784
BCCD1377

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Determination of volatile organic compounds as biomarkers of lung cancer by SPME-GC-TOF/MS and chemometrics
Rudnicka J, et al.
Journal of Chromatography. B, Biomedical Applications, 879(30), 3360-3366 (2011)
Marlies De Ceuleneer et al.
Rapid communications in mass spectrometry : RCM, 25(11), 1536-1542 (2011-05-20)
Citrullination is a post-translational modification (PTM) that results from the deimination of the amino acid arginine into citrulline by Peptidyl Arginine Deiminase enzymes and occurs in a wide range of proteins in health and disease. This modification causes a 1
Esther Serrano-Saiz et al.
Genetics, 214(1), 163-178 (2019-11-30)
Members of the superfamily of solute carrier (SLC) transmembrane proteins transport diverse substrates across distinct cellular membranes. Three SLC protein families transport distinct neurotransmitters into synaptic vesicles to enable synaptic transmission in the nervous system. Among them is the SLC17A6/7/8
Rapid gas-chromatographic method for the determination of diacetyl in milk, fermented milk and butter
Macciola V, et al.
Food Control, 19(9), 873-878 (2008)
Roger L. Lundblad
Chemical Modification of Biological Polymers, 78-78 (2011)
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