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Aliphatic and alicyclic building blocks

2-(4'-Methyl valeryl) cyclohexanone

Also known as 2-(4-Methyl-1-oxopentyl)cyclohexanone, 2-(4-methylpentanoyl)cyclohexan-1-one

CAS 59209-93-7Formula C12H20O2Molar mass 196.29 g/mol
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2-(4'-Methyl valeryl) cyclohexanone chemical structure, C12H20O2, CAS 59209-93-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
59209-93-7
Formula
C12H20O2
Molar mass
196.29 g/mol
HS code
291429
Category
Aliphatic and alicyclic building blocks

What is 2-(4'-Methyl valeryl) cyclohexanone?

Plain description, key identifiers and synonyms

2-(4'-Methyl valeryl) cyclohexanone is a chemical substance with the molecular formula C12H20O2 and a molar mass of 196.29 g/mol. Its CAS registry number is 59209-93-7. The IUPAC name is 2-(4-methylpentanoyl)cyclohexan-1-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-(4-methylpentanoyl)cyclohexan-1-one
CAS number
59209-93-7
Molecular formula
C12H20O2
InChIKey
LLCWZLYBGYZLDB-UHFFFAOYSA-N
InChI
InChI=1S/C12H20O2/c1-9(2)7-8-12(14)10-5-3-4-6-11(10)13/h9-10H,3-8H2,1-2H3
SMILES (canonical and isomeric)
CC(C)CCC(=O)C1CCCCC1=O

Synonyms

  • 2-(4-Methyl-1-oxopentyl)cyclohexanone
  • 2-(4-methylpentanoyl)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
196.29 g/molcalc.
Exact mass
196.1463 Dacalc.
LogP (octanol/water)
2.75calc.
Topological polar surface area
34.14 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
4calc.
Heavy atoms
14calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.83calc.
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

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

2-(4'-Methyl valeryl) cyclohexanone suppliers

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2-(4'-Methyl valeryl) 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 2-(4'-Methyl valeryl) cyclohexanone is traded under.

HS 2914.29Indicative HS code

Cyclanic, cyclenic or cycloterpenic ketones without other oxygen function, other

World exports in 2024
$1B
+6.6% vs 2023, imports $980M
2019 to 2024
Top exporters
  1. China32.5%
  2. India * partner reported12.9%
  3. Germany12.3%
Top importers
  1. United States15.7%
  2. Japan8.7%
  3. Germany8.7%

* Partner reported figures, a lower bound.

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

The HS code shown for 2-(4'-Methyl valeryl) cyclohexanone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 2-(4'-Methyl valeryl) cyclohexanone, based on the data on this page

What is 2-(4'-Methyl valeryl) cyclohexanone?

2-(4'-Methyl valeryl) cyclohexanone is a chemical substance with the molecular formula C12H20O2 and a molar mass of 196.29 g/mol. Its CAS registry number is 59209-93-7. The IUPAC name is 2-(4-methylpentanoyl)cyclohexan-1-one.

What is the CAS number of 2-(4'-Methyl valeryl) cyclohexanone?

The CAS registry number of 2-(4'-Methyl valeryl) cyclohexanone is 59209-93-7.

What is the molecular formula and weight of 2-(4'-Methyl valeryl) cyclohexanone?

The molecular formula of 2-(4'-Methyl valeryl) cyclohexanone is C12H20O2 and its molar mass is 196.29 g/mol.

What is 2-(4'-Methyl valeryl) cyclohexanone used for?

Known uses and roles of 2-(4'-Methyl valeryl) cyclohexanone include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 2-(4'-Methyl valeryl) cyclohexanone hazardous?

No GHS hazard classification for 2-(4'-Methyl valeryl) cyclohexanone is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of 2-(4'-Methyl valeryl) cyclohexanone?

2-(4'-Methyl valeryl) cyclohexanone is usually classified under HS code 291429 (Cyclanic, cyclenic or cycloterpenic ketones without other oxygen function, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 2-(4'-Methyl valeryl) cyclohexanone?

Post a free request on CompoundList and suppliers of 2-(4'-Methyl valeryl) cyclohexanone will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 2-(4'-Methyl valeryl) cyclohexanone?

Suppliers quote 2-(4'-Methyl valeryl) 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 2-(4'-Methyl valeryl) 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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