对苯二甲酸二甲酯
TL;DR: 对苯二甲酸二甲酯 (CAS 120-61-6) is a chemical compound with molecular formula C10H10O4 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对苯二甲酸二甲酯
dimethyl benzene-1,4-dicarboxylate
Also Known As: DIMETHYL TEREPHTHALATE, Dimethyl p-phthalate, Dimethyl 4-phthalate, Di-Me terephthalate, Methyl terephthalate
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 192.0 |
| Melting Point | 284 to 142.2 °C |
| Boiling Point | 300.0 °C at 760 mmHg (sublimes) |
| Density | 1.2 at 20.0 °C 1.08 at 145 °C (liquid) |
| Solubility | less than 1 mg/mL at 55 °F (NTP, 1992) |
| Flash Point | 153.3 °C |
| Vapor Pressure | 16 mmHg at 100.0 °C ; 140 mmHg at 150.0 °C |
Chemical Identifiers
| CAS Number | 120-61-6 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)OC |
| InChIKey | WOZVHXUHUFLZGK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对苯二甲酸二甲酯 (CAS 120-61-6), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: dimethyl benzene-1,4-dicarboxylate.
Chemical Property Profile of 对苯二甲酸二甲酯
Property Insights of 对苯二甲酸二甲酯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对苯二甲酸二甲酯. With a topological polar surface area (TPSA) of 52.6 Ų, 对苯二甲酸二甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对苯二甲酸二甲酯 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
Frequently Asked Questions
What is the CAS number of 对苯二甲酸二甲酯?
The CAS number of 对苯二甲酸二甲酯 is 120-61-6.
What is the molecular formula of 对苯二甲酸二甲酯?
The molecular formula of 对苯二甲酸二甲酯 is C10H10O4.
What is the molecular weight of 对苯二甲酸二甲酯?
The molecular weight of 对苯二甲酸二甲酯 is 194.06 g/mol.
Where can I buy 对苯二甲酸二甲酯?
You can request a quote for 对苯二甲酸二甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对苯二甲酸二甲酯?
Yes, KEHONG BIO provides custom synthesis services for 对苯二甲酸二甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.