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Aldehydes and ketones

4-Propylcyclohexanone

Also known as 4-n-Propylcyclohexanone, Cyclohexanone, 4-propyl-, 4-propyl-1-cyclohexanone

CAS 40649-36-3Formula C9H16OMolar mass 140.23 g/molEC 406-810-4
GHS signal word: Warning. Pictograms: Harmful or irritant 3 suppliers listed
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4-Propylcyclohexanone chemical structure, C9H16O, CAS 40649-36-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
40649-36-3
Formula
C9H16O
Molar mass
140.23 g/mol
EC number
406-810-4
HS code
291429
Category
Aldehydes and ketones

What is 4-Propylcyclohexanone?

Plain description, key identifiers and synonyms

4-Propylcyclohexanone is a chemical substance with the molecular formula C9H16O and a molar mass of 140.23 g/mol. Its CAS registry number is 40649-36-3. The IUPAC name is 4-propylcyclohexan-1-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-propylcyclohexan-1-one
CAS number
40649-36-3 CAS number cross-checked
EC numbers
406-810-4, 628-981-6
Molecular formula
C9H16O
UNII
9735699W19
MDL number
MFCD00058690
InChIKey
NQEDLIZOPMNZMC-UHFFFAOYSA-N
InChI
InChI=1S/C9H16O/c1-2-3-8-4-6-9(10)7-5-8/h8H,2-7H2,1H3
SMILES (canonical and isomeric)
CCCC1CCC(=O)CC1

Synonyms

  • 4-n-Propylcyclohexanone
  • Cyclohexanone, 4-propyl-
  • 4-propyl-1-cyclohexanone
  • 4nPropylcyclohexanone
  • 4-propylcyclohexan-1-one
  • 4-propyl-cyclohexanone
  • Thiobis(2-
  • 4-n-propyl-cyclohexanone
  • 4-Propylcyclohexanone, >=99.0%

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
140.23 g/molcalc.
Exact mass
140.1201 Dacalc.
LogP (octanol/water)
2.55calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
2calc.
Heavy atoms
10calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.89calc.
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

  • H315Causes skin irritation.
  • H412Harmful to aquatic life with long lasting effects.
Precautionary statements (8)
  • P264Wash skin thoroughly after handling.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • 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-Propylcyclohexanone suppliers

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All 3 suppliers

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Where suppliers are based

3 suppliers in 2 countries

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4-Propylcyclohexanone 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

Europe

  • EU harmonised classification (CLP Annex VI)
    Index no: 606-057-00-3

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 4-Propylcyclohexanone 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 4-Propylcyclohexanone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 4-Propylcyclohexanone, based on the data on this page

What is 4-Propylcyclohexanone?

4-Propylcyclohexanone is a chemical substance with the molecular formula C9H16O and a molar mass of 140.23 g/mol. Its CAS registry number is 40649-36-3. The IUPAC name is 4-propylcyclohexan-1-one.

What is the CAS number of 4-Propylcyclohexanone?

The CAS registry number of 4-Propylcyclohexanone is 40649-36-3.

What is the molecular formula and weight of 4-Propylcyclohexanone?

The molecular formula of 4-Propylcyclohexanone is C9H16O and its molar mass is 140.23 g/mol.

What is 4-Propylcyclohexanone used for?

Known uses and roles of 4-Propylcyclohexanone include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 4-Propylcyclohexanone hazardous?

4-Propylcyclohexanone carries the GHS signal word "Warning". Main hazards: causes skin irritation, harmful to aquatic life with long lasting effects. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 4-Propylcyclohexanone?

4-Propylcyclohexanone 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 4-Propylcyclohexanone?

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

What is the price of 4-Propylcyclohexanone?

Suppliers quote 4-Propylcyclohexanone 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-Propylcyclohexanone

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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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