Acetylacetone - Ultra pure, ≥99.5%(GC) , CAS No.123-54-6

CAS: 123-54-6 Cat. No.: A110370 Formula: C5H8O2 Molecular Weight: 100.12 Beilstein Registry Number: 741937 EC Number: 204-634-0
AVAILABLE TO ORDER
GRADE & PURITY Ultra pure ? Ultra-pure grade with very low impurity content across the board. Use for trace analysis, electronics, or processes intolerant of contamination. ≥99.5%(GC)
Synonyms
2,4-Dioxopentane | Acetylacetone;Pentane-2,4-dione | CAS-123-54-6 | pentan-2 | Pentane-2,4-dione [UN2310] [Flammable liquid] | Acetylacetone | acetyl-acetone | CH3COCH2COCH3 | CH3-CO-CH2-CO-CH3 | NCGC00257968-01 | 2,4-Pentandione | ACETYL ACETONE | PD1931
Storage
Protected from light,Room temperature
Shipped In
FedEx DG Service
★
Size
Germany (EU)
USA*
Price
Qty
100ml
A110370-100ml
3 In stock
5 In stock
€121.40
500ml
A110370-500ml
—
2 In stock
€270.65
Enter a quantity for the sizes you want to add.
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Why this grade

Ultra pure, ≥99.5%(GC) Ultra pure for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,Room temperature Ships 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 228 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Acetylacetone is a chelating ligand and forms organometallic complexes that are used as gasoline additives, lubricant additives, driers for varnishes and printer′s inks, fungicides, insecticides and colors. It is a selective extraction reagent for determination of molybdenum in ferrous materials.
Indicator for the complexometric titration of Fe(III); For the modification of guanidino groups in proteins (e.g. Arg); and amino groups in proteins

Specifications

Synonyms
2,4-Dioxopentane | Acetylacetone;Pentane-2,4-dione | CAS-123-54-6 | pentan-2 | Pentane-2,4-dione [UN2310] [Flammable liquid] | Acetylacetone | acetyl-acetone | CH3COCH2COCH3 | CH3-CO-CH2-CO-CH3 | NCGC00257968-01 | 2,4-Pentandione | ACETYL ACETONE | PD1931
Specifications & Purity
Ultra pure, ≥99.5%(GC)
Storage
Protected from light,Room temperature
Shipped In
FedEx DG Service
Grade
Ultra pure
Purity
≥99.5%(GC)
Names and Identifiers
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488183152
Canonical Smiles
CC(=O)CC(=O)C
IUPAC Name
pentane-2,4-dione
InChIKey
YRKCREAYFQTBPV-UHFFFAOYSA-N
INCHI
1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
Isomeric SMILES
CC(=O)CC(=O)C
WGK Germany
1
RTECS
SA1925000
Alternate CAS
1522-20-9
UN Number
2310
Packing Group
III
Molecular Weight
100.12
Beilstein
741937
Reaxy-Rn
741937
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=741937&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 1,3-dicarbonyl compounds
Direct ParentBeta-diketones
Alternative Parents Ketones  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents 1,3-diketone - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as beta-diketones. These are organic compounds containing two keto groups separated by a single carbon atom.
External Descriptors a small molecule
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TYR Tclin Tyrosinase (717 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
MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MMP8 Tchem Matrix metalloproteinase 8 (1942 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
MMP1 Tchem Matrix metalloproteinase-1 (7046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Nos2 Nitric oxide synthase, inducible (3573 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mmp2 Matrix metalloproteinase-2 (12 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mmp9 Matrix metalloproteinase 9 (38 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.

18 results found

Lot NumberCertificate TypeDateItem
F2610229Certificate of AnalysisJun 02, 2026 A110370
F2610228Certificate of AnalysisJun 02, 2026 A110370
F2512108Certificate of AnalysisMay 21, 2025 A110370
F2512107Certificate of AnalysisMay 21, 2025 A110370
F2330197Certificate of AnalysisJun 09, 2023 A110370
F2330195Certificate of AnalysisJun 09, 2023 A110370
F2330180Certificate of AnalysisJun 09, 2023 A110370
F2330193Certificate of AnalysisJun 09, 2023 A110370
I2306142Certificate of AnalysisJun 09, 2023 A110370
I2306086Certificate of AnalysisJun 09, 2023 A110370
E2527174Certificate of AnalysisJun 09, 2023 A110370
B2317264Certificate of AnalysisJan 28, 2023 A110370
B2317258Certificate of AnalysisJan 28, 2023 A110370
B2317255Certificate of AnalysisJan 28, 2023 A110370
C2205172Certificate of AnalysisFeb 24, 2022 A110370
C2205171Certificate of AnalysisFeb 24, 2022 A110370
B2222227Certificate of AnalysisFeb 09, 2022 A110370
B2222226Certificate of AnalysisFeb 09, 2022 A110370
Chemical and Physical Properties
SolubilityIt is readily miscible with water.
SensitivityLight sensitive.
Refractive Index1.4512
Flash Point(°F)95.0 °F
Flash Point(°C)35℃
Boil Point(°C)140.5°C
Melt Point(°C)-23°C
Molecular Weight100.120 g/mol
XLogP30.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass100.052 Da
Monoisotopic Mass100.052 Da
Topological Polar Surface Area34.100 Ų
Heavy Atom Count7
Formal Charge0
Complexity82.300
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
Solution Calculators
Reviews

Customer Reviews

Frequently Asked Questions

What is the purity of this product, and how is it determined?
This product is supplied at ≥99.5% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.
What does Ultra pure mean?
Ultra pure is a defined analytical purity tier suitable for general analytical and reagent applications. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. Ultra pure is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.
How should this product be stored?
Store in a cool place, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.
How is this product shipped?
This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 123-54-6, the molecular formula is C5H8O2, and the molecular weight is 100.12 g/mol. InChIKey YRKCREAYFQTBPV-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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