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Aldehydes and ketones

Cyclohexanone, 3,3-dimethyl-

Also known as 3,3-Dimethylcyclohexanone, 3,3-dimethylcyclohexan-1-one, 3,3-Dimethylcyclohexane-1-one

CAS 2979-19-3Formula C8H14OMolar mass 126.20 g/molEC 628-905-1
GHS signal word: Danger. Pictograms: Flammable, Corrosive 4 suppliers listed
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Cyclohexanone, 3,3-dimethyl- chemical structure, C8H14O, CAS 2979-19-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2979-19-3
Formula
C8H14O
Molar mass
126.20 g/mol
Physical form
Liquid
HS code
291422
Category
Aldehydes and ketones
Illustrative photo, closed blue steel drums of liquid in a chemical plant
Typical packagingIllustrative packaging image, not the actual product

What is Cyclohexanone, 3,3-dimethyl-?

Plain description, key identifiers and synonyms

Cyclohexanone, 3,3-dimethyl- is a chemical substance with the molecular formula C8H14O and a molar mass of 126.20 g/mol. Its CAS registry number is 2979-19-3. The IUPAC name is 3,3-dimethylcyclohexan-1-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3,3-dimethylcyclohexan-1-one
CAS number
2979-19-3 CAS number cross-checked
EC number
628-905-1
Molecular formula
C8H14O
UNII
A6PJL95QHU
MDL number
MFCD00040178
InChIKey
ZVJQBBYAVPAFLX-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O/c1-8(2)5-3-4-7(9)6-8/h3-6H2,1-2H3
SMILES (canonical and isomeric)
CC1(CCCC(=O)C1)C

Synonyms

  • 3,3-Dimethylcyclohexanone
  • 3,3-dimethylcyclohexan-1-one
  • 3,3-Dimethylcyclohexane-1-one
  • 3,3-Dimethyl-cyclohexanone
  • 3,3-dimethyl-cyclohexan-1-one
  • Zvjqbbyavpaflx-uhfffaoysa-
  • 3,3-Dimethylcyclohexanone, 90%

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.

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
126.20 g/molcalc.
Exact mass
126.1045 Dacalc.
LogP (octanol/water)
2.16calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
0calc.
Heavy atoms
9calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.88calc.
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
Danger
GHS02: Flammable
Flammable
GHS05: Corrosive
Corrosive

Hazard statements

  • H226Flammable liquid and vapour.
  • H318Causes serious eye damage.
Precautionary statements (14)
  • 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.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P303 + P361 + P353If on skin (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P317Get medical help.
  • 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.

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

Cyclohexanone, 3,3-dimethyl- suppliers

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Where suppliers are based

4 suppliers in 2 countries

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Cyclohexanone, 3,3-dimethyl- 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

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 Cyclohexanone, 3,3-dimethyl- is traded under.

HS 2914.22Indicative HS code

Cyclohexanone and methylcyclohexanones

World exports in 2024
$228M
+45.0% vs 2023, imports $385M
2019 to 2024
Top exporters
  1. China44.6%
  2. Germany18.2%
  3. United States11.9%
Top importers
  1. Spain14.5%
  2. United Kingdom13.3%
  3. Belgium12.0%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Cyclohexanone, 3,3-dimethyl- is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Cyclohexanone, 3,3-dimethyl-, based on the data on this page

What is Cyclohexanone, 3,3-dimethyl-?

Cyclohexanone, 3,3-dimethyl- is a chemical substance with the molecular formula C8H14O and a molar mass of 126.20 g/mol. Its CAS registry number is 2979-19-3. The IUPAC name is 3,3-dimethylcyclohexan-1-one.

What is the CAS number of Cyclohexanone, 3,3-dimethyl-?

The CAS registry number of Cyclohexanone, 3,3-dimethyl- is 2979-19-3.

What is the molecular formula and weight of Cyclohexanone, 3,3-dimethyl-?

The molecular formula of Cyclohexanone, 3,3-dimethyl- is C8H14O and its molar mass is 126.20 g/mol.

What is Cyclohexanone, 3,3-dimethyl- used for?

Known uses and roles of Cyclohexanone, 3,3-dimethyl- include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Cyclohexanone, 3,3-dimethyl- hazardous?

Cyclohexanone, 3,3-dimethyl- carries the GHS signal word "Danger". Main hazards: flammable liquid and vapour, causes serious eye damage. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Cyclohexanone, 3,3-dimethyl-?

Cyclohexanone, 3,3-dimethyl- is usually classified under HS code 291422 (Cyclohexanone and methylcyclohexanones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cyclohexanone, 3,3-dimethyl-?

CompoundList lists 4 suppliers of Cyclohexanone, 3,3-dimethyl- in United States and India. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Cyclohexanone, 3,3-dimethyl- in India?

1 supplier in India list Cyclohexanone, 3,3-dimethyl- on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Cyclohexanone, 3,3-dimethyl-?

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Guides for buyers

Practical guides that help when you source, ship or handle Cyclohexanone, 3,3-dimethyl-

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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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