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Ethyl 3-oxocyclohexane-1-carboxylate - 97%, high purity , CAS No.33668-25-6

COA

Grade & Purity:

≥97%

Cas Number: 33668-25-6
Molecular Weight: 170.2
PubChem CID: 118096
PubChem SID: 504756777

In stock

Item Number

E183810

Grouped product items
SKU	Size	Availability	Price
E183810-250mg	250mg	3	$48.90
E183810-1g	1g	7	$84.90
E183810-5g	5g	5	$252.90
E183810-25g	25g	2	$988.90

Basic Description

Synonyms	33668-25-6 \| Ethyl 3-oxocyclohexanecarboxylate \| ethyl 3-oxocyclohexane-1-carboxylate \| ethyl 3-oxocyclohexane-1-carbo xylate \| MFCD00205583 \| Ethyl Cyclohexanone-beta-carboxylate \| MFCD30802484 \| Cyclohexanecarboxylic acid, 3-oxo-, ethyl ester \| Ethyl3-oxocyclohexane-1-
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Carboxylic acid derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acid derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Carboxylic acid esters
Alternative Parents	Cyclic ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclic ketone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
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	504756777
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756777
IUPAC Name	ethyl 3-oxocyclohexane-1-carboxylate
INCHI	InChI=1S/C9H14O3/c1-2-12-9(11)7-4-3-5-8(10)6-7/h7H,2-6H2,1H3
InChIKey	YLRVJPQVDQQBOX-UHFFFAOYSA-N
Smiles	CCOC(=O)C1CCCC(=O)C1
Isomeric SMILES	CCOC(=O)C1CCCC(=O)C1
Molecular Weight	170.2
Reaxy-Rn	2089476
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2089476&ln=

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

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

Analytical Chart:

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9 results found

Lot Number	Certificate Type	Date	Item
F2327168	Certificate of Analysis	Jun 01, 2023	E183810
F2327185	Certificate of Analysis	Jun 01, 2023	E183810
F2327193	Certificate of Analysis	Jun 01, 2023	E183810
F2327181	Certificate of Analysis	Jun 01, 2023	E183810
F2327172	Certificate of Analysis	Jun 01, 2023	E183810
F2327180	Certificate of Analysis	Jun 01, 2023	E183810
F2327184	Certificate of Analysis	Jun 01, 2023	E183810
F2327177	Certificate of Analysis	Jun 01, 2023	E183810
F2507028	Certificate of Analysis	Jun 01, 2023	E183810

Chemical and Physical Properties

Molecular Weight	170.210 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	170.094 Da
Monoisotopic Mass	170.094 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	186.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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