1,2-Butanediol, 2-butoxy-, 1-acetate
TL;DR: 1,2-Butanediol, 2-butoxy-, 1-acetate (CAS 68214-09-5) is a chemical compound with molecular formula C10H20O4 and molecular weight 204.13615 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-butoxy-2-hydroxybutyl) acetate
Also Known As: 2-butoxy-2-hydroxybutyl acetate, 1,2-Butanediol, 2-butoxy-, 1-acetate, (2-butoxy-2-hydroxybutyl) acetate, Aceticacid2-butoxy-2-hydroxybutylester, Acetic acid, (2-hydroxy-2-butoxybutyl) ester
Technical Specifications
| Molecular Formula | C10H20O4 |
| Molecular Weight | 204.13615 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 204.13615 Da |
| Heavy Atoms | 14 |
| Complexity | 170.0 |
| SMILES | CCCCOC(CC)(COC(=O)C)O |
| InChIKey | WDPBWUHDTQEFIQ-UHFFFAOYSA-N |
Chemical Property Profile of 1,2-Butanediol, 2-butoxy-, 1-acetate
Property Insights of 1,2-Butanediol, 2-butoxy-, 1-acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Butanediol, 2-butoxy-, 1-acetate. With a topological polar surface area (TPSA) of 55.8 Ų, 1,2-Butanediol, 2-butoxy-, 1-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Butanediol, 2-butoxy-, 1-acetate has 1 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 1,2-Butanediol, 2-butoxy-, 1-acetate?
The CAS number of 1,2-Butanediol, 2-butoxy-, 1-acetate is 68214-09-5.
What is the molecular formula of 1,2-Butanediol, 2-butoxy-, 1-acetate?
The molecular formula of 1,2-Butanediol, 2-butoxy-, 1-acetate is C10H20O4.
What is the molecular weight of 1,2-Butanediol, 2-butoxy-, 1-acetate?
The molecular weight of 1,2-Butanediol, 2-butoxy-, 1-acetate is 204.13615 g/mol.
Where can I buy 1,2-Butanediol, 2-butoxy-, 1-acetate?
You can request a quote for 1,2-Butanediol, 2-butoxy-, 1-acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Butanediol, 2-butoxy-, 1-acetate?
Yes, CoreyChem provides custom synthesis services for 1,2-Butanediol, 2-butoxy-, 1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.