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Aldehydes and ketones

4-(Methylsulfonyl)cyclohexanone

Also known as 4-methanesulfonylcyclohexan-1-one, 4-methanesulfonyl-cyclohexanone, 4-(Methylsulfonyl)cyclohexan-1-one

CAS 862129-72-4Formula C7H12O3SMolar mass 176.24 g/molEC 891-493-9
GHS signal word: Warning. Pictograms: Harmful or irritant
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4-(Methylsulfonyl)cyclohexanone chemical structure, C7H12O3S, CAS 862129-72-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
862129-72-4
Formula
C7H12O3S
Molar mass
176.24 g/mol
EC number
891-493-9
HS code
293090
Category
Aldehydes and ketones

What is 4-(Methylsulfonyl)cyclohexanone?

Plain description, key identifiers and synonyms

4-(Methylsulfonyl)cyclohexanone is a chemical substance with the molecular formula C7H12O3S and a molar mass of 176.24 g/mol. Its CAS registry number is 862129-72-4. The IUPAC name is 4-methylsulfonylcyclohexan-1-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-methylsulfonylcyclohexan-1-one
CAS number
862129-72-4
EC number
891-493-9
Molecular formula
C7H12O3S
MDL number
MFCD21648605
InChIKey
HZDUWRDWIUHEME-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O3S/c1-11(9,10)7-4-2-6(8)3-5-7/h7H,2-5H2,1H3
SMILES (canonical and isomeric)
CS(=O)(=O)C1CCC(=O)CC1

Synonyms

  • 4-methanesulfonylcyclohexan-1-one
  • 4-methanesulfonyl-cyclohexanone
  • 4-(Methylsulfonyl)cyclohexan-1-one
  • 4-Methylsulfonylcyclohexanone
  • 4-methylsulfonylcyclohexan-1-one
  • Cyclohexanone, 4-(methylsulfonyl)-
  • 4-methanesulfonylcyclohexanone
  • 4-methanesulphonylcyclohexanone
  • 4-(Methanesulfonyl)cyclohexan-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
176.24 g/molcalc.
Exact mass
176.0507 Dacalc.
LogP (octanol/water)
0.54calc.
Topological polar surface area
51.21 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
1calc.
Heavy atoms
11calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.86calc.
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

O=C1CCCCC1

1 ring, 7 atoms, the Cyclohexanone ring system.

2,698 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

  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (19)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • 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).
  • P330Rinse mouth.
  • 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

4-(Methylsulfonyl)cyclohexanone suppliers

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4-(Methylsulfonyl)cyclohexanone 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 4-(Methylsulfonyl)cyclohexanone is traded under.

HS 2930.90Indicative HS code

Organo-sulphur compounds, other

World exports in 2024
$5.83B
+0.1% vs 2023, imports $5.93B
2019 to 2024
Top exporters
  1. China40.7%
  2. United States10.9%
  3. Japan9.3%
Top importers
  1. United States13.3%
  2. Brazil12.6%
  3. China6.6%
Reported customs values in USD, not prices.Full trade data

The HS code shown for 4-(Methylsulfonyl)cyclohexanone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 4-(Methylsulfonyl)cyclohexanone, based on the data on this page

What is 4-(Methylsulfonyl)cyclohexanone?

4-(Methylsulfonyl)cyclohexanone is a chemical substance with the molecular formula C7H12O3S and a molar mass of 176.24 g/mol. Its CAS registry number is 862129-72-4. The IUPAC name is 4-methylsulfonylcyclohexan-1-one.

What is the CAS number of 4-(Methylsulfonyl)cyclohexanone?

The CAS registry number of 4-(Methylsulfonyl)cyclohexanone is 862129-72-4.

What is the molecular formula and weight of 4-(Methylsulfonyl)cyclohexanone?

The molecular formula of 4-(Methylsulfonyl)cyclohexanone is C7H12O3S and its molar mass is 176.24 g/mol.

What is 4-(Methylsulfonyl)cyclohexanone used for?

Known uses and roles of 4-(Methylsulfonyl)cyclohexanone include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 4-(Methylsulfonyl)cyclohexanone hazardous?

4-(Methylsulfonyl)cyclohexanone carries the GHS signal word "Warning". Main hazards: harmful if swallowed, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 4-(Methylsulfonyl)cyclohexanone?

4-(Methylsulfonyl)cyclohexanone is usually classified under HS code 293090 (Organo-sulphur compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 4-(Methylsulfonyl)cyclohexanone?

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What is the price of 4-(Methylsulfonyl)cyclohexanone?

Suppliers quote 4-(Methylsulfonyl)cyclohexanone 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 4-(Methylsulfonyl)cyclohexanone

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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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