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

CAS: 40649-36-3 Cat. No.: P115524 Molecular Weight: 140.22 Beilstein Registry Number: 2076023 EC Number: 406-810-4
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
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-
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
P115524-5g
5
$9.90
10g
P115524-10g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$10.90
25g
P115524-25g
4

$18.90

$28.90
Save $10.00 (34.60%)
100g
P115524-100g
2

$70.90

$106.90
Save $36.00 (33.68%)
500g
P115524-500g
1

$257.90

$386.90
Save $129.00 (33.34%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

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%
Storage
Room temperature
Shipped In
Normal
Purity
≥99%
Names and Identifiers
Pubchem Sid488188143
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488188143
Canonical SmilesCCCC1CCC(=O)CC1
IUPAC Name4-propylcyclohexan-1-one
InChIKeyNQEDLIZOPMNZMC-UHFFFAOYSA-N
INCHI1S/C9H16O/c1-2-3-8-4-6-9(10)7-5-8/h8H,2-7H2,1H3
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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones
Direct ParentCyclic ketones
Alternative Parents Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





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.

11 results found

Lot NumberCertificate TypeDateItem
F2217001Certificate of AnalysisApr 02, 2026 P115524
F2217028Certificate of AnalysisApr 02, 2026 P115524
F2216206Certificate of AnalysisMar 18, 2026 P115524
F2216207Certificate of AnalysisMar 18, 2026 P115524
L2109314Certificate of AnalysisSep 09, 2025 P115524
L2109646Certificate of AnalysisSep 09, 2025 P115524
F2129266Certificate of AnalysisApr 03, 2025 P115524
F2129268Certificate of AnalysisApr 03, 2025 P115524
F2511135Certificate of AnalysisMay 25, 2022 P115524
H2513831Certificate of AnalysisMay 25, 2022 P115524
K2302036Certificate of AnalysisMay 25, 2022 P115524

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Chemical and Physical Properties
Sensitivityheat sensitive
Refractive Index1.453
Flash Point(°F)186.8 °F
Flash Point(°C)86°
Boil Point(°C)115°C
Molecular Weight140.220 g/mol
XLogP32.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass140.12 Da
Monoisotopic Mass140.12 Da
Topological Polar Surface Area17.100 Ų
Heavy Atom Count10
Formal Charge0
Complexity108.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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