Skip to the beginning of the images gallery

4-Propylcyclohexanone - 99%, high purity , CAS No.40649-36-3

COA

Grade & Purity:

≥99%

Cas Number: 40649-36-3
Molecular Weight: 140.22
Beilstein Registry Number: 2076023
EC Number: 406-810-4
MDL number: MFCD00058690
PubChem CID: 142482
PubChem SID: 488188143

In stock

Item Number

P115524

Grouped product items
SKU	Size	Availability	Price
P115524-5g	5g	3	$19.90
P115524-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$35.90
P115524-25g	25g	4	$51.90
P115524-100g	100g	2	$184.90
P115524-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$831.90

View related series

Carbonyl compound (2335) ketone (798)

Basic Description

Synonyms	AKOS000120239 \| FT-0619442 \| PS-5320 \| 9735699W19 \| Intexsan CTC 50 \| Z57073962 \| Cyclohexanone, 4-propyl- \| Adogen 412 \| NCGC00257308-01 \| SY009654 \| 4-Propylcyclohexanone \| 4-propyl-cyclohexanone \| EC 406-810-4 \| DTXCID4028173 \| EN300-17912 \| Thiobis(2-
Specifications & Purity	≥99%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Cyclic ketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones
Direct Parent	Cyclic ketones
Alternative Parents	Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488188143
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488188143
IUPAC Name	4-propylcyclohexan-1-one
INCHI	InChI=1S/C9H16O/c1-2-3-8-4-6-9(10)7-5-8/h8H,2-7H2,1H3
InChIKey	NQEDLIZOPMNZMC-UHFFFAOYSA-N
Smiles	CCCC1CCC(=O)CC1
Isomeric SMILES	CCCC1CCC(=O)CC1
WGK Germany	1
Molecular Weight	140.22
Beilstein	2076023
Reaxy-Rn	2076023
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2076023&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot Number	Certificate Type	Date	Item
F2129266	Certificate of Analysis	Apr 03, 2025	P115524
F2129268	Certificate of Analysis	Apr 03, 2025	P115524
F2217028	Certificate of Analysis	May 25, 2022	P115524
F2216206	Certificate of Analysis	May 25, 2022	P115524
F2216207	Certificate of Analysis	May 25, 2022	P115524
F2217001	Certificate of Analysis	May 25, 2022	P115524
F2511135	Certificate of Analysis	May 25, 2022	P115524
K2302036	Certificate of Analysis	May 25, 2022	P115524

Chemical and Physical Properties

Sensitivity	heat sensitive
Refractive Index	1.453
Flash Point(°F)	186.8 °F
Flash Point(°C)	86°
Boil Point(°C)	115°C
Molecular Weight	140.220 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	140.12 Da
Monoisotopic Mass	140.12 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	108.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration