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Ethyl 4-Oxocyclohexanecarboxylate - >98.0%(GC), high purity , CAS No.17159-79-4

COA

Grade & Purity:

≥98%(GC)

Cas Number: 17159-79-4
Molecular Weight: 170.21
Beilstein Registry Number: 2520500
MDL number: MFCD00013285
PubChem CID: 317638
PubChem SID: 488189473

In stock

Item Number

E156205

Grouped product items
SKU	Size	Availability	Price
E156205-1g	1g	3	$9.90
E156205-5g	5g	2	$22.90
E156205-25g	25g	7	$82.90
E156205-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$225.90
E156205-500g	500g	1	$1,015.90

View related series

Carboxylate (915) Non heterocyclic block (8163)

Basic Description

Synonyms	2-deoxy-2-((18)F)fluoro-alpha-D-glucopyranose \| SCHEMBL4532 \| 4-ethoxycarbonylcyclohexanone \| 4-ethoxycarbonyl-cyclohexanone \| syn-3-[18F]FACBC \| AKOS005254935 \| PS-5511 \| Ethyl 4-oxocyclohexane carboxylate \| W-206013 \| InChI=1/C9H14O3/c1-2-12-9(11)7-3-5-
Specifications & Purity	≥98%(GC)
Shipped In	Normal
Product Description	Employed in the preparation of dopamine agonists and the skeleton of tetracyclic diterpenes

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	488189473
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488189473
IUPAC Name	ethyl 4-oxocyclohexane-1-carboxylate
INCHI	InChI=1S/C9H14O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h7H,2-6H2,1H3
InChIKey	ZXYAWONOWHSQRU-UHFFFAOYSA-N
Smiles	CCOC(=O)C1CCC(=O)CC1
Isomeric SMILES	CCOC(=O)C1CCC(=O)CC1
WGK Germany	3
Molecular Weight	170.21
Beilstein	2520500
Reaxy-Rn	2520501
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2520501&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.

11 results found

Lot Number	Certificate Type	Date	Item
I2405273	Certificate of Analysis	Sep 11, 2024	E156205
G2417447	Certificate of Analysis	Jul 23, 2024	E156205
G2417454	Certificate of Analysis	Jul 23, 2024	E156205
G2417455	Certificate of Analysis	Jul 23, 2024	E156205
C2405321	Certificate of Analysis	Mar 15, 2024	E156205
C2405322	Certificate of Analysis	Mar 15, 2024	E156205
C2405324	Certificate of Analysis	Mar 15, 2024	E156205
C2405325	Certificate of Analysis	Mar 15, 2024	E156205
C2405333	Certificate of Analysis	Mar 15, 2024	E156205
C2405334	Certificate of Analysis	Mar 15, 2024	E156205
D2312202	Certificate of Analysis	May 12, 2021	E156205

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Chemical and Physical Properties

Refractive Index	1.46
Flash Point(°F)	230 °F
Flash Point(°C)	110 °C
Boil Point(°C)	152°C/40mmHg(lit.)
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	176.000
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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