2,3-Butanedione - ≥98% , CAS No.431-03-8

CAS: 431-03-8 Cat. No.: B104601 Molecular Weight: 86.09 Beilstein Registry Number: 1769 EC Number: 207-069-8
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
Buta-2,3-dione | Butane-2,3-dione | HSDB 297 | C00741 | dimethylglyoxal | F0001-1188 | 2,3-diketobutane | NCGC00090746-02 | SR-01000075811-1 | BDBM22725 | HMS3261M15 | 2,3-butanedione | EN300-19494 | FT-0609502 | NCGC00015336-04 | AKOS000118816 | NCGC0001
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice,FedEx DG Service
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
25ml
B104601-25ml
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$11.90
100ml
B104601-100ml
4
$18.90
500ml
B104601-500ml
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$56.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice,FedEx DG Service Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 52 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

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.

Inactivates aminopeptidase-N. Cyclocondensation with amines has been used to form triazine and pteridine ring systems. Also used as a precursor to α-diones.

Specifications

Synonyms
Buta-2, 3-dione | Butane-2, 3-dione | HSDB 297 | C00741 | dimethylglyoxal | F0001-1188 | 2, 3-diketobutane | NCGC00090746-02 | SR-01000075811-1 | BDBM22725 | HMS3261M15 | 2, 3-butanedione | EN300-19494 | FT-0609502 | NCGC00015336-04 | AKOS000118816 | NCGC0001
Specifications & Purity
≥98%
Storage
Store at 2-8°C, Argon charged
Shipped In
Wet ice, FedEx DG Service
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%
Names and Identifiers
Pubchem Sid504750402
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504750402
Canonical SmilesCC(=O)C(=O)C
IUPAC Namebutane-2,3-dione
InChIKeyQSJXEFYPDANLFS-UHFFFAOYSA-N
INCHI1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
Isomeric SMILES CC(=O)C(=O)C
WGK Germany 2
RTECS EK2625000
UN Number 2346
Packing Group II
Molecular Weight 86.09
Beilstein 1769
Reaxy-Rn 605398
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605398&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones
Direct ParentAlpha-diketones
Alternative Parents Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Alpha-diketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alpha-diketones. These are organic compounds containing two ketone groups on two adjacent carbon atoms.
External Descriptors a small molecule
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCHE Tclin Butyrylcholinesterase (7174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ARSA Tbio Cerebroside-sulfatase (655 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CES2 Tchem Carboxylesterase 2 (583 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACLY Tclin ATP-citrate synthase (168 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
THPO Tbio Thrombopoietin (834 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Impa1 Inositol monophosphatase 1 (16203 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
nfo Endonuclease 4 (425 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
crtY Lycopene cyclase (9 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

39 results found

Lot NumberCertificate TypeDateItem
F2612394Certificate of AnalysisJun 01, 2026 B104601
F2612354Certificate of AnalysisJun 01, 2026 B104601
F2612348Certificate of AnalysisJun 01, 2026 B104601
F2612346Certificate of AnalysisJun 01, 2026 B104601
F2603183Certificate of AnalysisNov 26, 2025 B104601
L2516351Certificate of AnalysisNov 26, 2025 B104601
L2516350Certificate of AnalysisNov 26, 2025 B104601
L2516201Certificate of AnalysisNov 26, 2025 B104601
L2516200Certificate of AnalysisNov 26, 2025 B104601
D2614058Certificate of AnalysisNov 26, 2025 B104601
J2430744Certificate of AnalysisOct 22, 2024 B104601
J2430414Certificate of AnalysisOct 22, 2024 B104601
J2430412Certificate of AnalysisOct 22, 2024 B104601
J2430403Certificate of AnalysisOct 22, 2024 B104601
D2412117Certificate of AnalysisMar 25, 2024 B104601
G2521059Certificate of AnalysisMar 25, 2024 B104601
G2521049Certificate of AnalysisMar 25, 2024 B104601
D2412118Certificate of AnalysisMar 25, 2024 B104601
D2412119Certificate of AnalysisMar 25, 2024 B104601
A2403150Certificate of AnalysisDec 22, 2023 B104601
A2403151Certificate of AnalysisDec 22, 2023 B104601
A2403152Certificate of AnalysisDec 22, 2023 B104601
A2403149Certificate of AnalysisDec 22, 2023 B104601
F23161025Certificate of AnalysisJun 10, 2023 B104601
F23161021Certificate of AnalysisJun 10, 2023 B104601
K2321262Certificate of AnalysisJun 10, 2023 B104601
F23161022Certificate of AnalysisJun 10, 2023 B104601
F23161023Certificate of AnalysisJun 10, 2023 B104601
F23161024Certificate of AnalysisJun 10, 2023 B104601
F23161028Certificate of AnalysisJun 10, 2023 B104601
F23161029Certificate of AnalysisJun 10, 2023 B104601
J2211671Certificate of AnalysisSep 23, 2022 B104601
J2211670Certificate of AnalysisSep 23, 2022 B104601
J2211632Certificate of AnalysisSep 23, 2022 B104601
F2213260Certificate of AnalysisJun 04, 2022 B104601
I2213239Certificate of AnalysisJun 04, 2022 B104601
F2213400Certificate of AnalysisJun 04, 2022 B104601
F2213266Certificate of AnalysisJun 04, 2022 B104601
F2213265Certificate of AnalysisJun 04, 2022 B104601

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Chemical and Physical Properties
SolubilityMiscible with water.
Sensitivityheat sensitive;air sensitive
Refractive Index1.394
Flash Point(°C)7 °C
Boil Point(°C)88°C
Melt Point(°C)-4 °C
Molecular Weight86.090 g/mol
XLogP3-1.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass86.0368 Da
Monoisotopic Mass86.0368 Da
Topological Polar Surface Area34.100 Ų
Heavy Atom Count6
Formal Charge0
Complexity71.500
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
References
1. Yanqun Zhang, Yishun Yao, Tong Zhou, Foxin Zhang, Xue Xia, Jingyang Yu, Shiqing Song, Khizar Hayat, Xiaoming Zhang, Chi-Tang Ho.  (2023)  Light-Colored Maillard Peptides: Formation from Reduced Fluorescent Precursors of Browning and Enhancement of Saltiness Perception.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:38060299] [10.1021/acs.jafc.3c07476]
2. Yanmei Zhu, Fushuang Xiang, Yuanyuan Su, Xue Jiang, Yipeng Cang, Wanjun Long, Wei Lan, Gaoqiong Deng, Hengye Chen, Yuanbin She, Haiyan Fu.  (2023)  Authenticity identification of high – Temperature Daqu Baijiu through multi-channel visual array sensor of organic dyes combined with smart phone App.  FOOD CHEMISTRY,      [PMID:37979267] [10.1016/j.foodchem.2023.137980]
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