4-Ethylcyclohexanone - ≥98% , CAS No.5441-51-0

CAS: 5441-51-0 Cat. No.: E115523 Formula: C2H5C6H9(=O) Molecular Weight: 126.20 Beilstein Registry Number: 1924960 EC Number: 226-629-2
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
EN300-19813 | Z104475572 | DTXSID20202807 | FT-0618411 | SCHEMBL87369 | 4-Ethylcyclohexanone, 97% | 4-Ethylcyclohexanone | 4-Ethyl-cyclohexanone | NSC 21120 | OKSDJGWHKXFVME-UHFFFAOYSA- | Cyclohexanone, 4-ethyl- | E0398 | InChI=1/C8H14O/c1-2-7-3-5-8(9)6-4
Storage
Argon charged,Room temperature
Shipped In
Normal
Size
USA
Germany (EU)*
Price
Qty
5ml
E115523-5ml
7 In stock
$9.90
25ml
E115523-25ml
2 In stock
$23.90
100ml
E115523-100ml
2 In stock
$94.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Argon charged,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.

Overview

4-Ethylcyclohexanone was used to study the biotransformations of 4-Ethylcyclohexanone

Specifications

Synonyms
EN300-19813 | Z104475572 | DTXSID20202807 | FT-0618411 | SCHEMBL87369 | 4-Ethylcyclohexanone, 97% | 4-Ethylcyclohexanone | 4-Ethyl-cyclohexanone | NSC 21120 | OKSDJGWHKXFVME-UHFFFAOYSA- | Cyclohexanone, 4-ethyl- | E0398 | InChI=1/C8H14O/c1-2-7-3-5-8(9)6-4
Specifications & Purity
≥98%
Storage
Argon charged,Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488185741
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488185741
Canonical SmilesCCC1CCC(=O)CC1
IUPAC Name4-ethylcyclohexan-1-one
InChIKeyOKSDJGWHKXFVME-UHFFFAOYSA-N
INCHI1S/C8H14O/c1-2-7-3-5-8(9)6-4-7/h7H,2-6H2,1H3
Isomeric SMILES CCC1CCC(=O)CC1
WGK Germany 1
Molecular Weight 126.20
Beilstein 1924960
Reaxy-Rn 1924964
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1924964&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
K2113349Certificate of AnalysisAug 13, 2025 E115523
K2113566Certificate of AnalysisAug 13, 2025 E115523
C2605028Certificate of AnalysisJun 28, 2024 E115523
L2426323Certificate of AnalysisJun 28, 2024 E115523
L2426327Certificate of AnalysisJun 28, 2024 E115523
H2323639Certificate of AnalysisAug 07, 2023 E115523
H2323741Certificate of AnalysisAug 07, 2023 E115523
H2323761Certificate of AnalysisAug 07, 2023 E115523
H2323775Certificate of AnalysisAug 07, 2023 E115523
C1918165Certificate of AnalysisJan 12, 2023 E115523
G2307706Certificate of AnalysisAug 11, 2021 E115523

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Chemical and Physical Properties
SensitivityAir sensitive
Refractive Index1.452
Flash Point(°F)145.4 °F
Flash Point(°C)63°
Boil Point(°C)192-194°C
Molecular Weight126.200 g/mol
XLogP31.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass126.104 Da
Monoisotopic Mass126.104 Da
Topological Polar Surface Area17.100 Ų
Heavy Atom Count9
Formal Charge0
Complexity97.100
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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