Dimethyl 1,4-cyclohexanedicarboxylate
TL;DR: Dimethyl 1,4-cyclohexanedicarboxylate (CAS 3399-22-2) is a chemical compound with molecular formula C10H16O4 and molecular weight 200.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl cyclohexane-1,4-dicarboxylate
Also Known As: Dimethyl 1,4-cyclohexanedicarboxylate, Dimethyl cyclohexane-1,4-dicarboxylate, DIMETHYL TRANS-1,4-CYCLOHEXANEDICARBOXYLATE, cis-Dimethyl cyclohexane-1,4-dicarboxylate, DMCHDC
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H16O4 |
| Molecular Weight | 200.10486 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.10486 Da |
| Heavy Atoms | 14 |
| Complexity | 192.0 |
| Melting Point | 14 °C (cis-isomer), 71 °C (trans-isomer) |
| Boiling Point | 265 °C (mixed isomer) |
| Density | Specific gravity: 1.102 at 35 °C/4 °C |
| Vapor Pressure | 0.08 [mmHg] |
| Refractive Index | Index of Refraction = 1.4580 at 20 °C |
| Solubility | In water, 12,000 mg/L at 25 °C |
| SMILES | COC(=O)C1CCC(CC1)C(=O)OC |
| InChIKey | LNGAGQAGYITKCW-UHFFFAOYSA-N |
Product Description
Applications: Dimethyl 1,4-cyclohexanedicarboxylate is used in polymer chemistry and functional materials synthesis, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Dimethyl 1,4-cyclohexanedicarboxylate (CAS 3399-22-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Dimethyl 1,4-cyclohexanedicarboxylate is a polymer intermediate identified by CAS number 3399-22-2 and the molecular formula C10H16O4 and a molecular weight of 200.1 g/mol. Physically, the compound has a density of Specific gravity: 1.102 at 35 °C/4 °C g/cm³, a solubility: In water, 12,000 mg/L at 25 °C. It is also known as Dimethyl 1,4-cyclohexanedicarboxylate and Dimethyl cyclohexane-1,4-dicarboxylate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Dimethyl 1,4-cyclohexanedicarboxylate
Property Insights of Dimethyl 1,4-cyclohexanedicarboxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 1,4-cyclohexanedicarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 1,4-cyclohexanedicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 1,4-cyclohexanedicarboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Dimethyl 1,4-cyclohexanedicarboxylate?
The CAS number of Dimethyl 1,4-cyclohexanedicarboxylate is 3399-22-2.
What is the molecular formula of Dimethyl 1,4-cyclohexanedicarboxylate?
The molecular formula of Dimethyl 1,4-cyclohexanedicarboxylate is C10H16O4.
What is the molecular weight of Dimethyl 1,4-cyclohexanedicarboxylate?
The molecular weight of Dimethyl 1,4-cyclohexanedicarboxylate is 200.10486 g/mol.
What are the applications of Dimethyl 1,4-cyclohexanedicarboxylate?
Dimethyl 1,4-cyclohexanedicarboxylate is used in polymer chemistry and functional materials synthesis, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Dimethyl...
Where can I buy Dimethyl 1,4-cyclohexanedicarboxylate?
You can request a quote for Dimethyl 1,4-cyclohexanedicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dimethyl 1,4-cyclohexanedicarboxylate?
Yes, CoreyChem provides custom synthesis services for Dimethyl 1,4-cyclohexanedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.