Acetal
TL;DR: Acetal (CAS 105-57-7) is a chemical compound with molecular formula C6H14O2 and molecular weight 118.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1-diethoxyethane
Also Known As: Acetal, 1,1-DIETHOXYETHANE, Diethyl acetal, Diethylacetal, Acetaldehyde diethyl acetal
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H14O2 |
| Molecular Weight | 118.09938 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 118.09938 Da |
| Heavy Atoms | 8 |
| Complexity | 39.0 |
| Melting Point | -148 °F (USCG, 1999) |
| Boiling Point | 216 °F at 760 mmHg (USCG, 1999) |
| Density | 0.831 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | -5 °F (USCG, 1999) |
| Vapor Pressure | 56.87 mmHg (USCG, 1999) |
| Refractive Index | INDEX OF REFRACTION: 1.38193 AT 20 °C/D |
| Solubility | MISCIBLE WITH ALCOHOL, 60% ALCOHOL, ETHER; SOL IN HEPTANE, METHYLCYCLOHEXANE, ETHYL ACETATE; PROPYL, ISOPROPYL, BUTYL & ISOBUTYL ALCOHOLS; 100 G WATER DISSOLVE 5 G ACETAL |
| SMILES | CCOC(C)OCC |
| InChIKey | DHKHKXVYLBGOIT-UHFFFAOYSA-N |
Product Description
Applications: Acetal is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, Acetal (CAS 105-57-7) has the molecular formula C6H14O2 and a molecular weight of 118.1 g/mol. Reported properties include a density of 0.831 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: MISCIBLE WITH ALCOHOL, 60% ALCOHOL, ETHER; SOL IN HEPTANE, METHYLCYCLOHEXANE, ETHYL ACETATE; PROPYL, ISOPROPYL, BUTYL & ISOBUTYL ALCOHOLS; 100 G WATER DISSOLVE 5 G ACETAL. Synonyms include Acetal and 1,1-DIETHOXYETHANE.
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 Acetal
Property Insights of Acetal
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetal. With a topological polar surface area (TPSA) of 18.5 Ų, Acetal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetal has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetal?
The CAS number of Acetal is 105-57-7.
What is the molecular formula of Acetal?
The molecular formula of Acetal is C6H14O2.
What is the molecular weight of Acetal?
The molecular weight of Acetal is 118.09938 g/mol.
What are the applications of Acetal?
Acetal is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis...
Where can I buy Acetal?
You can request a quote for Acetal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetal?
Yes, CoreyChem provides custom synthesis services for Acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.