1,2-乙二醇二乙酸酯
TL;DR: 1,2-乙二醇二乙酸酯 (CAS 111-55-7) is a chemical compound with molecular formula C6H10O4 and molecular weight 146.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-乙二醇二乙酸酯
2-acetyloxyethyl acetate
Also Known As: ETHYLENE GLYCOL DIACETATE, Glycol diacetate, 1,2-Diacetoxyethane, Ethylene diacetate, Ethylene acetate
| Molecular Formula | C6H10O4 |
|---|---|
| Molecular Weight | 146.06 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 146.0579 |
| Heavy Atoms | 10 |
| Complexity | 114.0 |
| Melting Point | -31.1 °C |
| Boiling Point | 367 to 187.2 °C at 760 mmHg |
| Density | 1.104 at 20.0 °C |
| Solubility | greater than or equal to 100 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 96.1 °C |
| Vapor Pressure | 0.4 mmHg at 20.0 °C ; 1 mmHg at 38.3 °C; 760 mmHg at 190.5 °C |
| Refractive Index | 1.415 @ 20 °C |
Chemical Identifiers
| CAS Number | 111-55-7 |
|---|---|
| SMILES | CC(=O)OCCOC(=O)C |
| InChIKey | JTXMVXSTHSMVQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-乙二醇二乙酸酯 (CAS 111-55-7), with molecular formula C6H10O4 and molecular weight 146.06 g/mol. IUPAC: 2-acetyloxyethyl acetate.
Chemical Property Profile of 1,2-乙二醇二乙酸酯
Property Insights of 1,2-乙二醇二乙酸酯
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-乙二醇二乙酸酯. With a topological polar surface area (TPSA) of 52.6 Ų, 1,2-乙二醇二乙酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-乙二醇二乙酸酯 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 1,2-乙二醇二乙酸酯?
The CAS number of 1,2-乙二醇二乙酸酯 is 111-55-7.
What is the molecular formula of 1,2-乙二醇二乙酸酯?
The molecular formula of 1,2-乙二醇二乙酸酯 is C6H10O4.
What is the molecular weight of 1,2-乙二醇二乙酸酯?
The molecular weight of 1,2-乙二醇二乙酸酯 is 146.06 g/mol.
Where can I buy 1,2-乙二醇二乙酸酯?
You can request a quote for 1,2-乙二醇二乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-乙二醇二乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for 1,2-乙二醇二乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.