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Screening compounds

2,6-Dibenzoylcyclohexan-1-one

Also known as Cyclohexanone, 2,6-dibenzoyl-, 2,6-dibenzoylcyclohexanone

CAS 16094-85-2Formula C20H18O3Molar mass 306.36 g/molEC 123-576-6
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Hazardous to the environment
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2,6-Dibenzoylcyclohexan-1-one chemical structure, C20H18O3, CAS 16094-85-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
16094-85-2
Formula
C20H18O3
Molar mass
306.36 g/mol
EC number
123-576-6
HS code
291439
Category
Screening compounds

What is 2,6-Dibenzoylcyclohexan-1-one?

Plain description, key identifiers and synonyms

2,6-Dibenzoylcyclohexan-1-one is a chemical substance with the molecular formula C20H18O3 and a molar mass of 306.36 g/mol. Its CAS registry number is 16094-85-2.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2,6-dibenzoylcyclohexan-1-one
CAS number
16094-85-2 CAS number cross-checked
EC number
123-576-6
Molecular formula
C20H18O3
InChIKey
RVBGQHCKEMNVJQ-UHFFFAOYSA-N
InChI
InChI=1S/C20H18O3/c21-18(14-8-3-1-4-9-14)16-12-7-13-17(20(16)23)19(22)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2
SMILES (canonical and isomeric)
C1CC(C(=O)C(C1)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3

Synonyms

  • Cyclohexanone, 2,6-dibenzoyl-
  • 2,6-dibenzoylcyclohexanone

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

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

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
306.36 g/molcalc.
Exact mass
306.1256 Dacalc.
LogP (octanol/water)
3.74calc.
Topological polar surface area
51.21 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
4calc.
Heavy atoms
23calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.25calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(c1ccccc1)C1CCCC(C(=O)c2ccccc2)C1=O

O=C(c1ccccc1)C1CCCC(C(=O)c2ccccc2)C1=O

3 rings, 23 atoms. This chemical is the scaffold itself.

No other chemical in our database has this scaffold.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H301Toxic if swallowed.
  • H400Very toxic to aquatic life.
Precautionary statements (9)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P273Avoid release to the environment.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P391Collect spillage.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

2,6-Dibenzoylcyclohexan-1-one suppliers

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2,6-Dibenzoylcyclohexan-1-one 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

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 2,6-Dibenzoylcyclohexan-1-one is traded under.

HS 2914.39Indicative HS code

Aromatic ketones without other oxygen function, other

World exports in 2024
$207M
−12.1% vs 2023, imports $191M
2019 to 2024
Top exporters
  1. China61.4%
  2. India * partner reported12.4%
  3. Italy7.6%
Top importers
  1. India * partner reported11.9%
  2. Germany9.9%
  3. United States8.7%

* Partner reported figures, a lower bound.

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

The HS code shown for 2,6-Dibenzoylcyclohexan-1-one is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 2,6-Dibenzoylcyclohexan-1-one, based on the data on this page

What is 2,6-Dibenzoylcyclohexan-1-one?

2,6-Dibenzoylcyclohexan-1-one is a chemical substance with the molecular formula C20H18O3 and a molar mass of 306.36 g/mol. Its CAS registry number is 16094-85-2.

What is the CAS number of 2,6-Dibenzoylcyclohexan-1-one?

The CAS registry number of 2,6-Dibenzoylcyclohexan-1-one is 16094-85-2.

What is the molecular formula and weight of 2,6-Dibenzoylcyclohexan-1-one?

The molecular formula of 2,6-Dibenzoylcyclohexan-1-one is C20H18O3 and its molar mass is 306.36 g/mol.

What is 2,6-Dibenzoylcyclohexan-1-one used for?

Known uses and roles of 2,6-Dibenzoylcyclohexan-1-one include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 2,6-Dibenzoylcyclohexan-1-one hazardous?

2,6-Dibenzoylcyclohexan-1-one carries the GHS signal word "Danger". Main hazards: toxic if swallowed, very toxic to aquatic life. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 2,6-Dibenzoylcyclohexan-1-one?

2,6-Dibenzoylcyclohexan-1-one is usually classified under HS code 291439 (Aromatic ketones without other oxygen function, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 2,6-Dibenzoylcyclohexan-1-one?

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What is the price of 2,6-Dibenzoylcyclohexan-1-one?

Suppliers quote 2,6-Dibenzoylcyclohexan-1-one 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 2,6-Dibenzoylcyclohexan-1-one

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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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