Skip to the beginning of the images gallery

1，4-Cyclohexanedimethanol bis(3，4-epoxycyclohexanecarboxylate) - Oxirane oxygen：7.8-8.5 (mixture of isomers), high purity , CAS No.20249-12-1

COA

Grade & Purity:

Oxirane oxygen：7.8-8.5 (mixture of isomers)

Cas Number: 20249-12-1
PubChem CID: 23120451

In stock

Item Number

C768306

Grouped product items
SKU	Size	Availability	Price	Qty
C768306-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$29.90
C768306-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$91.90

Basic Description

Specifications & Purity	Oxirane oxygen：7.8-8.5 (mixture of isomers)
Storage Temp	Store at 2-8°C,Desiccated
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 Organoheterocyclic compounds
  - Class Oxepanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Oxepanes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Oxepanes
Alternative Parents	Dicarboxylic acids and derivatives Carboxylic acid esters Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Oxepane - Dicarboxylic acid or derivatives - Carboxylic acid ester - Oxacycle - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as oxepanes. These are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.
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	[4-(7-oxabicyclo[4.1.0]heptane-3-carbonyloxymethyl)cyclohexyl]methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
INCHI	InChI=1S/C22H32O6/c23-21(15-5-7-17-19(9-15)27-17)25-11-13-1-2-14(4-3-13)12-26-22(24)16-6-8-18-20(10-16)28-18/h13-20H,1-12H2
InChIKey	NRJLSUZLHMXXHJ-UHFFFAOYSA-N
Smiles	C1CC(CCC1COC(=O)C2CCC3C(C2)O3)COC(=O)C4CCC5C(C4)O5
Isomeric SMILES	C1CC(CCC1COC(=O)C2CCC3C(C2)O3)COC(=O)C4CCC5C(C4)O5
PubChem CID	23120451

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	392.500 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	392.22 Da
Monoisotopic Mass	392.22 Da
Topological Polar Surface Area	77.700 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	546.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration