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

COA

Grade & Purity:

≥98%

Cas Number: 5441-51-0
Molecular Weight: 126.20
Beilstein Registry Number: 1924960
MDL number: MFCD00001644
PubChem CID: 79506
PubChem SID: 488185741

In stock

Item Number

E115523

Grouped product items
SKU	Size	Availability	Price
E115523-5ml	5ml	4	$14.90
E115523-25ml	25ml	2	$54.90
E115523-100ml	100ml	2	$150.90

View related series

Carbonyl compound (2335) ketone (798)

Basic Description

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 Temp	Argon charged
Shipped In	Normal
Product Description	4-Ethylcyclohexanone was used to study the biotransformations of 4-Ethylcyclohexanone

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	488185741
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488185741
IUPAC Name	4-ethylcyclohexan-1-one
INCHI	InChI=1S/C8H14O/c1-2-7-3-5-8(9)6-4-7/h7H,2-6H2,1H3
InChIKey	OKSDJGWHKXFVME-UHFFFAOYSA-N
Smiles	CCC1CCC(=O)CC1
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=

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
L2426323	Certificate of Analysis	Jun 28, 2024	E115523
L2426327	Certificate of Analysis	Jun 28, 2024	E115523
H2323741	Certificate of Analysis	Aug 07, 2023	E115523
H2323761	Certificate of Analysis	Aug 07, 2023	E115523
H2323775	Certificate of Analysis	Aug 07, 2023	E115523
H2323639	Certificate of Analysis	Aug 07, 2023	E115523
C1918165	Certificate of Analysis	Jan 12, 2023	E115523
G2307706	Certificate of Analysis	Aug 11, 2021	E115523

Chemical and Physical Properties

Sensitivity	Air sensitive
Refractive Index	1.452
Flash Point(°F)	145.4 °F
Flash Point(°C)	63°
Boil Point(°C)	192-194°C
Molecular Weight	126.200 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	126.104 Da
Monoisotopic Mass	126.104 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	97.100
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

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