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Aromatic building blocks

2-Benzylidenecyclohexanone

Also known as 2-Benzylidenecyclohexan-1-one, 2-(phenylmethylene)cyclohexanone, benzylidenecyclohexanone

CAS 5682-83-7Formula C13H14OMolar mass 186.25 g/molEC 227-144-9
GHS signal word: Warning. Pictograms: Harmful or irritant
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2-Benzylidenecyclohexanone chemical structure, C13H14O, CAS 5682-83-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
5682-83-7
Formula
C13H14O
Molar mass
186.25 g/mol
EC number
227-144-9
HS code
291439
Category
Aromatic building blocks

What is 2-Benzylidenecyclohexanone?

Plain description, key identifiers and synonyms

2-Benzylidenecyclohexanone is a chemical substance with the molecular formula C13H14O and a molar mass of 186.25 g/mol. Its CAS registry number is 5682-83-7. The IUPAC name is 2-benzylidenecyclohexan-1-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-benzylidenecyclohexan-1-one
CAS number
5682-83-7
EC number
227-144-9
Molecular formula
C13H14O
InChIKey
VCDPHYIZVFJQCD-UHFFFAOYSA-N
InChI
InChI=1S/C13H14O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2
SMILES (canonical and isomeric)
C1CCC(=O)C(=CC2=CC=CC=C2)C1

Synonyms

  • 2-Benzylidenecyclohexan-1-one
  • 2-(phenylmethylene)cyclohexanone
  • benzylidenecyclohexanone
  • 2-benzylidene-cyclohexanone
  • 2-phenylmethylenecyclohexan-1-one
  • 2-[1-Phenyl-methylidene]-cyclohexanone
  • Benzylidencyclohexanone, 2-benzylidenecyclohexan-1-one

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
186.25 g/molcalc.
Exact mass
186.1045 Dacalc.
LogP (octanol/water)
3.21calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
1calc.
Heavy atoms
14calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.31calc.
Formal charge
0calc.
Stereocentres
0calc.
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=C1CCCCC1=Cc1ccccc1

O=C1CCCCC1=Cc1ccccc1

2 rings, 14 atoms. This chemical is the scaffold itself.

36 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • 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.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • 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-Benzylidenecyclohexanone suppliers

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2-Benzylidenecyclohexanone 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-Benzylidenecyclohexanone 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-Benzylidenecyclohexanone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is 2-Benzylidenecyclohexanone?

2-Benzylidenecyclohexanone is a chemical substance with the molecular formula C13H14O and a molar mass of 186.25 g/mol. Its CAS registry number is 5682-83-7. The IUPAC name is 2-benzylidenecyclohexan-1-one.

What is the CAS number of 2-Benzylidenecyclohexanone?

The CAS registry number of 2-Benzylidenecyclohexanone is 5682-83-7.

What is the molecular formula and weight of 2-Benzylidenecyclohexanone?

The molecular formula of 2-Benzylidenecyclohexanone is C13H14O and its molar mass is 186.25 g/mol.

What is 2-Benzylidenecyclohexanone used for?

Known uses and roles of 2-Benzylidenecyclohexanone include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 2-Benzylidenecyclohexanone hazardous?

2-Benzylidenecyclohexanone carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 2-Benzylidenecyclohexanone?

2-Benzylidenecyclohexanone 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-Benzylidenecyclohexanone?

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What is the price of 2-Benzylidenecyclohexanone?

Suppliers quote 2-Benzylidenecyclohexanone 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-Benzylidenecyclohexanone

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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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