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Dimethyl 1,4-Cyclohexanedicarboxylate (cis- and trans- mixture) - >98.0%(GC), high purity , CAS No.94-60-0

1 Citations

COA

Grade & Purity:

≥98%(GC)

Cas Number: 94-60-0
Molecular Weight: 200.23
Beilstein Registry Number: 9(4)2808
MDL number: MFCD00001460
PubChem CID: 7198

In stock

Item Number

D154225

Grouped product items
SKU	Size	Availability	Price
D154225-5g	5g	5	$9.90
D154225-25g	25g	3	$19.90
D154225-100g	100g	3	$49.90
D154225-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$89.90

View related series

Carboxylate (915) Non heterocyclic block (8163)

Basic Description

Synonyms	EC 202-347-5 \| NCGC00164087-01 \| NCGC00164087-02 \| Dimethyl cis-1,4-cyclohexanedicarboxylate \| dimethylcyclohexane-1,4-dicarboxylate \| DTXCID806566 \| trans-1,4-Cyclohexanedicarboxylic acid, dimethyl ester \| AI3-28580 \| DS-5422 \| rel-(1r,4r)-Dimethyl cyclo
Specifications & Purity	≥98%(GC)
Storage Temp	Room temperature
Shipped In	Normal
Product Description	Dimethyl 1,4-cyclohexanedicarboxylate, mixture of cis and trans may be used in chemical synthesis studies. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Dicarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Dicarboxylic acids and derivatives
Alternative Parents	Methyl esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - 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 dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
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

IUPAC Name	dimethyl cyclohexane-1,4-dicarboxylate
INCHI	InChI=1S/C10H16O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h7-8H,3-6H2,1-2H3
InChIKey	LNGAGQAGYITKCW-UHFFFAOYSA-N
Smiles	COC(=O)C1CCC(CC1)C(=O)OC
Isomeric SMILES	COC(=O)C1CCC(CC1)C(=O)OC
Molecular Weight	200.23
Beilstein	9(4)2808
Reaxy-Rn	1876703
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1876703&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.

13 results found

Lot Number	Certificate Type	Date	Item
E2528672	Certificate of Analysis	May 15, 2025	D154225
I1726068	Certificate of Analysis	May 13, 2025	D154225
G2106126	Certificate of Analysis	Apr 03, 2025	D154225
J1817037	Certificate of Analysis	Aug 08, 2022	D154225
F2213210	Certificate of Analysis	Jun 15, 2022	D154225
F2213201	Certificate of Analysis	Jun 15, 2022	D154225
F2326094	Certificate of Analysis	Jun 15, 2022	D154225
I2201363	Certificate of Analysis	Jun 15, 2022	D154225
I2201361	Certificate of Analysis	Jun 15, 2022	D154225
B2309204	Certificate of Analysis	Mar 02, 2022	D154225
D2222032	Certificate of Analysis	Mar 02, 2022	D154225
D2222071	Certificate of Analysis	Mar 02, 2022	D154225
F2326083	Certificate of Analysis	Sep 14, 2021	D154225

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Chemical and Physical Properties

Solubility	Not miscible in water.
Refractive Index	1.458
Boil Point(°C)	131-133 °C/11 mmHg (lit.)
Melt Point(°C)	13 °C
Molecular Weight	200.230 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	200.105 Da
Monoisotopic Mass	200.105 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	192.000
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

Citations of This Product

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