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Acetylacetone chemical structure, C5H8O2, CAS 123-54-6
2D chemical structure

Key facts

What buyers check first

Appearance
Colorless or slightly yellow liquid
Melting point
-23 °C
Boiling point
138 °C
Density
Relative density (water = 1): 0.98
Flash point
38 °C
HS code
291419
Category
Cosmetic ingredients
UN number
UN 2310
Illustrative photo, a 1000 litre IBC tote of clear liquid in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Acetylacetone?

Plain description, key identifiers and synonyms

Acetylacetone is a beta-diketone that is pentane in which the hydrogens at positions 2 and 4 are replaced by oxo groups. It is a conjugate acid of an acetylacetonate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
pentane-2,4-dione
CAS number
123-54-6 CAS number cross-checkedOther or deprecated CAS: 14024-62-5, 81235-32-7
EC number
204-634-0
Molecular formula
C5H8O2
UNII
46R950BP4J
MDL number
MFCD00008787
INCI name
PENTANEDIONE
InChIKey
YRKCREAYFQTBPV-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
SMILES (canonical and isomeric)
CC(=O)CC(=O)C

Synonyms

  • 2,4-Pentanedione
  • Pentane-2,4-dione
  • 2,4-Dioxopentane
  • Acetoacetone
  • Diacetylmethane
  • ACAC
  • Pentanedione
  • Acetyl acetone
  • Pentan-2,4-dione
  • Pentanedione-2,4
  • Acetyl 2-propanone
  • Acetone, acetyl-
  • Hacac
  • 2-Propanone, acetyl-
  • 2,4-Pentadione
  • 2,4-Pentandione
  • acetylaceton
  • acetyl-acetone
  • CH3COCH2COCH3
  • 4-Hydroxy-3-penten-2-one
  • pentane-2
  • pentan-2
  • 2,4 pentanedione
  • 2.4-pentanedione
  • pentane2,4-dione
Show all 35 synonyms
  • Acetyl-2-Propanone
  • 2,4-pentane-dione
  • Acetylacetone enol
  • 1-methylbutane-1,3-dione
  • 4-01-00-03662 (Beilstein Handbook Reference)
  • Pentane-2,4-dione [UN2310] [Flammable liquid]
  • Acetylacetone, analytical standard
  • UN 2310
  • Acetylacetone, ReagentPlus(R), >=99%
  • Acetylacetone, JIS special grade, >=99%

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Appearance
Colorless or slightly yellow liquidexp.
Odour
Pleasant odorexp.
Melting point
-23 °Cexp.
Boiling point
138 °Cexp.
Density
Relative density (water = 1): 0.98exp.
Flash point
38 °Cexp.
Autoignition temperature
340 °Cexp.
Solubility
In water, 166,000 mg/L at 20 °Cexp.
Vapour pressure
Vapor pressure, kPa at 20 °C: 0.93exp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
100.12 g/molcalc.
Exact mass
100.0524 Dacalc.
LogP (octanol/water)
0.55calc.
Topological polar surface area
34.14 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
2calc.
Heavy atoms
7calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.6calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS02: Flammable
Flammable
GHS07: Harmful or irritant
Harmful or irritant
320NFPA 704 rating

Hazard statements

  • H226Flammable liquid and vapour.
  • H302Harmful if swallowed.
Precautionary statements (15)
  • P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
  • P233Keep container tightly closed.
  • P240Ground and bond container and receiving equipment.
  • P241Use explosion-proof electrical, ventilating and lighting equipment.
  • P242Use non-sparking tools.
  • P243Take action to prevent static discharges.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P303 + P361 + P353If on skin (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower.
  • P330Rinse mouth.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P403 + P235Store in a well-ventilated place. Keep cool.
  • P501Dispose of contents and container in accordance with local regulations.
UN number
UN 2310
Transport hazard class
3
Packing group
III

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Acetylacetone suppliers

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Where suppliers are based

120 suppliers in 19 countries

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Acetylacetone price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Forms organometallic complexes which are used as gasoline additives, lubricant additives, driers for varnishes and printer's inks...

Fungicides, insecticides, colors.

Solvent for cellulose acetate, intermediate, chelating agent for metals, paint driers, lubricant additives.

2,4-Pentanedione is used as an intermediate, in particular for the synthesis of heterocyclic substances for biologically active compounds and dyes, and for the production of metal acetylacetonates. Furthermore, 2,4-pentanedione is used as a solvent, and as an absorption and extraction agent, particularly for the separation and purification of metal ions. Another application is for the purification of metal-containing wastewater and for corrosion protection. 2,4-Pentanedione is also used as a component of catalyst systems for polymerization, copolymerization, oligo- and dimerization.

Industrial uses: Stabilizing agent, Catalyst, Diluent, Hardener, Drier, Intermediate, Surface modifier.

Consumer uses: Other, Solvent, Chemical reaction regulator, Diluent, Corrosion inhibitor.

Cosmetic ingredient, INCI name PENTANEDIONE(adhesive)

Cosmetic functions

  • Adhesive

How it is made

2,4-Pentanedione is produced by thermal or metal-catalyzed rearrangement of isopropenyl acetate (obtained from acetone and ketene). Isopropenyl acetate vapor is fed at atmospheric pressure through a V2A steel tube with an inner temperature of 520 °C. The hot reaction gases are quenched, condensed, and cooled to 20 °C, whereby the gaseous byproducts carbon monoxide, carbon dioxide, methane, and ketene are separated. The product is purified by fractional distillation.

Read more

Other industrially less important processes for the production of 2,4-pentanedione, include the Claisen ester condensation of ethyl acetate with acetone using sodium ethoxide as condensation agent and the acetylation of acetoacetic acid esters with acetic anhydride in the presence of magnesium salts.

Made by the action of sodium on ethyl acetate and acetone or by the action of anhydrous aluminum chloride on acetyl chloride in the presence of an inert solvent.

Condensation of acetone and acetic anhydride with a boron trifluoride catalyst, reaction of acetone and ethyl acetate in the presence of sodium ethoxide.

Regulatory status

Inventories, regulations and trade controls that list this substance

Europe

  • EU harmonised classification (CLP Annex VI)
    Index no: 606-029-00-0

Health and food

  • EU cosmetic ingredient inventory

United States

  • TSCA inventory (USA)
    Status: Active in US commerce, Regulatory flags: Proposed significant new use rule

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Acetylacetone is traded under.

HS 2914.19Indicative HS code

Acyclic ketones without other oxygen function, other

World exports in 2024
$264M
+1.7% vs 2023, imports $308M
2019 to 2024
Top exporters
  1. China27.1%
  2. United States27.0%
  3. Germany10.5%
Top importers
  1. China22.8%
  2. United States13.0%
  3. India * partner reported10.7%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Acetylacetone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Acetylacetone, based on the data on this page

What is Acetylacetone?

Acetylacetone is a beta-diketone that is pentane in which the hydrogens at positions 2 and 4 are replaced by oxo groups. It is a conjugate acid of an acetylacetonate.

What is the CAS number of Acetylacetone?

The CAS registry number of Acetylacetone is 123-54-6. Other or deprecated CAS numbers: 14024-62-5, 81235-32-7.

What is the molecular formula and weight of Acetylacetone?

The molecular formula of Acetylacetone is C5H8O2 and its molar mass is 100.12 g/mol.

What is Acetylacetone used for?

Forms organometallic complexes which are used as gasoline additives, lubricant additives, driers for varnishes and printer's inks... Fungicides, insecticides, colors. Solvent for cellulose acetate, intermediate, chelating agent for metals, paint driers, lubricant additives.

Is Acetylacetone hazardous?

Acetylacetone carries the GHS signal word "Warning". Main hazards: flammable liquid and vapour, harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Acetylacetone?

Acetylacetone is usually classified under HS code 291419 (Acyclic ketones without other oxygen function, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Acetylacetone?

CompoundList lists 120 suppliers of Acetylacetone in China, United States, India, United Kingdom and 15 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Acetylacetone in India?

16 suppliers in India list Acetylacetone on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Acetylacetone?

Suppliers quote Acetylacetone on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Acetylacetone

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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