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

CAS: 5441-51-0 Cat. No.: E115523 Formule: C2H5C6H9(=O) Poids moléculaire: 126.20 Beilstein Registry Number: 1924960 Numéro CE: 226-629-2
DISPONIBLE À COMMANDE
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
Allemagne (EU)*
Price
Qty
5ml
E115523-5ml
7 En stock
9,90$US
25ml
E115523-25ml
2 En stock
23,90$US
100ml
E115523-100ml
2 En stock
94,90$US
Enter a quantity for the sizes you want to add.
🧪

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.

Vue d’ensemble

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

Specifications

Synonymes
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
Spécifications et pureté
≥98%
Conditions de stockage de stockage
Argon charged,Room temperature
Expédié en
Normal
Pureté
≥98%
Noms et identifiants
Pubchem Sid488185741
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488185741
Sourires canoniquesCCC1CCC(=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
Isomères SMILES CCC1CCC(=O)CC1
WGK Allemagne 1
Poids moléculaire 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
ClasseOrganooxygen 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
Structure 3D
Modèle de structure chimique interactif





Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
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 TypeDateArticle
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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Propriétés chimiques et physiques
SensibilitéAir sensitive
Indice de réfraction1.452
Point d'éclair (°F)145.4 °F
Point d'éclair (°C)63°
Point d'ébullition (°C)192-194°C
Poids moléculaire126.200 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
Calculateurs de solution
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