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Synthesis reagents

2,5-Hexanedione

Also known as Hexane-2,5-dione, Acetonylacetone, 1,2-Diacetylethane

CAS 110-13-4Formula C6H10O2Molar mass 114.14 g/molEC 203-738-3
GHS signal word: Warning. Pictograms: Harmful or irritant, Serious health hazard 48 suppliers listed
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2,5-Hexanedione chemical structure, C6H10O2, CAS 110-13-4
2D chemical structure

Key facts

What buyers check first

All properties
Physical form
Liquid
Melting point
-5.5 °C
Boiling point
191.1 °C
Density
0.9737 at 68 °F - Less dense than water, will float
Flash point
78.9 °C
HS code
291419
Category
Synthesis reagents
UN number
UN 1224
Illustrative photo, 200 litre steel drums of liquid in a chemical plant
Typical packagingIllustrative packaging image, not the actual product

What is 2,5-Hexanedione?

Plain description, key identifiers and synonyms

2,5-hexanedione is a diketone that is hexane substituted by oxo groups at positions 2 and 5. It is a toxic metabolite of hexane and of 2-hexanone. It has a role as a neurotoxin and a human xenobiotic metabolite. It is a diketone and a methyl ketone. It derives from a hydride of a hexane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
hexane-2,5-dione
CAS number
110-13-4 CAS number cross-checked
EC number
203-738-3
Molecular formula
C6H10O2
UNII
C0Z8884J3P
MDL number
MFCD00008792
INCI name
ACETONYLACETONE
InChIKey
OJVAMHKKJGICOG-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3
SMILES (canonical and isomeric)
CC(=O)CCC(=O)C

Synonyms

  • Hexane-2,5-dione
  • Acetonylacetone
  • 1,2-Diacetylethane
  • 2,5-Diketohexane
  • Diacetonyl
  • 2,5-Hexadione
  • Acetonyl acetone
  • 2,5-Dioxohexane
  • alpha,beta-Diacetylethane
  • hexanedione, 2,5-
  • acetone, acetonyl
  • alpha, beta-diacetylethane
  • Acetone, acetonyl-
  • 2,5-Hexandione
  • CH3COCH2CH2COCH3
  • acetonylaceton
  • hexan-2
  • 2,5-hexacanedione
  • hexan-2,5-dione
  • hexan-2,5-dion
  • ACAN
  • 2,5-hexane-di-one
  • Hexanedione-(2,5)
  • 2,5-Hexanedione, 97%
  • 4-01-00-03688 (Beilstein Handbook Reference)
Show all 30 synonyms
  • 2,5-Hexanedione, >=98%
  • 2,5-Hexanedione, analytical standard
  • 2,5-Hexanedione, puriss. p.a., >=99.0%
  • 2,5-Hexanedione, Vetec(TM) reagent grade, 98%
  • 2,5-Hexanedione Solution in Acetonitrile, 100ug/mL

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

Physical form
Liquidexp.
Melting point
-5.5 °Cexp.
Boiling point
191.1 °Cexp.
Density
0.9737 at 68 °F - Less dense than water, will floatexp.
Flash point
78.9 °Cexp.
Autoignition temperature
493.3 °Cexp.
Solubility
Greater than or equal to 100 mg/mL at 72 °Fexp.
Vapour pressure
0.43 mmHg at 68 °F, 1.6 mmHg at 77 °Fexp.

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
114.14 g/molcalc.
Exact mass
114.0681 Dacalc.
LogP (octanol/water)
0.94calc.
Topological polar surface area
34.14 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
3calc.
Heavy atoms
8calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.67calc.
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
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H373May cause damage to organs through prolonged or repeated exposure.
Precautionary statements (12)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P501Dispose of contents and container in accordance with local regulations.
UN number
UN 1224

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

2,5-Hexanedione suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 48 suppliers
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Where suppliers are based

48 suppliers in 9 countries

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2,5-Hexanedione 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

Industrial uses: Intermediate.

Cosmetic ingredient, INCI name ACETONYLACETONE(perfuming)

Pharmacological actions

  • Cholinesterase Inhibitors
  • Cross-Linking Reagents
  • Neurotoxins

Roles

  • aetiopathogenetic role
  • animal metabolite
  • eukaryotic metabolite
  • human metabolite
  • human xenobiotic metabolite
  • mammalian metabolite
  • metabolite
  • neurotoxin
  • poison
  • xenobiotic metabolite

Functional uses

  • Fragrance

Cosmetic functions

  • Perfuming

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU cosmetic ingredient inventory

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 2,5-Hexanedione 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 2,5-Hexanedione is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 2,5-Hexanedione, based on the data on this page

What is 2,5-Hexanedione?

2,5-hexanedione is a diketone that is hexane substituted by oxo groups at positions 2 and 5. It is a toxic metabolite of hexane and of 2-hexanone. It has a role as a neurotoxin and a human xenobiotic metabolite. It is a diketone and a methyl ketone. It derives from a hydride of a hexane.

What is the CAS number of 2,5-Hexanedione?

The CAS registry number of 2,5-Hexanedione is 110-13-4.

What is the molecular formula and weight of 2,5-Hexanedione?

The molecular formula of 2,5-Hexanedione is C6H10O2 and its molar mass is 114.14 g/mol.

What is 2,5-Hexanedione used for?

Industrial uses: Intermediate.

Is 2,5-Hexanedione hazardous?

2,5-Hexanedione carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause damage to organs through prolonged or repeated exposure. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 2,5-Hexanedione?

2,5-Hexanedione 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 2,5-Hexanedione?

CompoundList lists 48 suppliers of 2,5-Hexanedione in China, United States, Hong Kong, Canada and 5 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of 2,5-Hexanedione?

Suppliers quote 2,5-Hexanedione 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 2,5-Hexanedione

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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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