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Aldehydes and ketones

3-Methylcyclohexanone

Also known as 3-methylcyclohexan-1-one, Cyclohexanone, 3-methyl-, Methyl-3 cyclohexanone-1

CAS 591-24-2Formula C7H12OMolar mass 112.17 g/molEC 209-710-7
GHS signal word: Warning. Pictograms: Flammable, Harmful or irritant 1 supplier listed
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3-Methylcyclohexanone chemical structure, C7H12O, CAS 591-24-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
591-24-2
Formula
C7H12O
Molar mass
112.17 g/mol
Physical form
Liquid
HS code
291422
Category
Aldehydes and ketones
Illustrative photo, assorted laboratory chemical bottles and jars on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is 3-Methylcyclohexanone?

Plain description, key identifiers and synonyms

3-methylcyclohexanone is a member of cyclohexanones.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-methylcyclohexan-1-one
CAS number
591-24-2 CAS number cross-checkedOther or deprecated CAS: 625-96-7
EC number
209-710-7
Molecular formula
C7H12O
UNII
255L4HTY2B
MDL number
MFCD00001639
InChIKey
UJBOOUHRTQVGRU-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3
SMILES (canonical and isomeric)
CC1CCCC(=O)C1

Synonyms

  • 3-methylcyclohexan-1-one
  • Cyclohexanone, 3-methyl-
  • Methyl-3 cyclohexanone-1
  • Tetrahydro-m-cresol
  • (rs)-3-Methylcyclohexanone
  • 2-07-00-00018 (Beilstein Handbook Reference)
  • Tetrahydromcresol
  • Cyclohexanone, 3methyl
  • Methyl3 cyclohexanone1
  • (+-)-3-Methylcyclohexanone
  • Cyclohexanone, 3-methyl-(+)
  • 3-Methyl cyclohexanone
  • m-METHYLCYCLOHEXANONE
  • (+/-)-3-Methylcyclohexanone
  • 3-Methyl-1-cyclohexanone
  • 3-methyl-cyclohexanone
  • 3-methyl-cyclohexan-1-one
  • 3-Methyl-(R)-Cyclohexanone
  • 3-Methyl-(S)-Cyclohexanone
  • 3-Methylcyclohexanone, 97%
  • 3-Methylcyclohexanone, >=97%
  • Cyclohexanone, 3-methyl- (+)

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
112.17 g/molcalc.
Exact mass
112.0888 Dacalc.
LogP (octanol/water)
1.77calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
0calc.
Heavy atoms
8calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.86calc.
Formal charge
0calc.
Stereocentres
1calc.
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
GHS02: Flammable
Flammable
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H226Flammable liquid and vapour.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (25)
  • 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.
  • 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.
  • P303 + P361 + P353If on skin (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower.
  • 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.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P403 + P235Store in a well-ventilated place. Keep cool.
  • 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

3-Methylcyclohexanone suppliers

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Where suppliers are based

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3-Methylcyclohexanone 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

Functional uses

  • Flavouring and nutrient

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 3-Methylcyclohexanone 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 3-Methylcyclohexanone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is 3-Methylcyclohexanone?

3-methylcyclohexanone is a member of cyclohexanones.

What is the CAS number of 3-Methylcyclohexanone?

The CAS registry number of 3-Methylcyclohexanone is 591-24-2. Other or deprecated CAS numbers: 625-96-7.

What is the molecular formula and weight of 3-Methylcyclohexanone?

The molecular formula of 3-Methylcyclohexanone is C7H12O and its molar mass is 112.17 g/mol.

What is 3-Methylcyclohexanone used for?

Known uses and roles of 3-Methylcyclohexanone include building blocks in research and laboratory, screening compounds in research and laboratory and flavouring and nutrient.

Is 3-Methylcyclohexanone hazardous?

3-Methylcyclohexanone carries the GHS signal word "Warning". Main hazards: flammable liquid and vapour, 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 3-Methylcyclohexanone?

3-Methylcyclohexanone 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 3-Methylcyclohexanone?

CompoundList lists 1 supplier of 3-Methylcyclohexanone in Canada. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of 3-Methylcyclohexanone?

Suppliers quote 3-Methylcyclohexanone 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 3-Methylcyclohexanone

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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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