Piperonyl butyl ether
TL;DR: Piperonyl butyl ether (CAS 69173-15-5) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(butoxymethyl)-1,3-benzodioxole
Also Known As: piperonyl butyl ether, Piperonylbutoxyd, 1,3-Benzodioxole, 5-(butoxymethyl)-, 5-(butoxymethyl)-1,3-benzodioxole, Piperonyl alcohol, n-butyl ether
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.732 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 322.6433 |
Chemical Identifiers
| CAS Number | 69173-15-5 |
|---|---|
| SMILES | CCCCOCC1=CC2=C(C=C1)OCO2 |
Product Overview
Piperonyl butyl ether (CAS 69173-15-5), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 5-(butoxymethyl)-1,3-benzodioxole.
Chemical Property Profile of Piperonyl butyl ether
Property Insights of Piperonyl butyl ether
The XLogP value of 2.732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperonyl butyl ether. With a topological polar surface area (TPSA) of 27.69 Ų, Piperonyl butyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperonyl butyl ether has 0 hydrogen bond donor(s) and 3 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 Piperonyl butyl ether?
The CAS number of Piperonyl butyl ether is 69173-15-5.
What is the molecular formula of Piperonyl butyl ether?
The molecular formula of Piperonyl butyl ether is C12H16O3.
What is the molecular weight of Piperonyl butyl ether?
The molecular weight of Piperonyl butyl ether is 208.11 g/mol.
Where can I buy Piperonyl butyl ether?
You can request a quote for Piperonyl butyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperonyl butyl ether?
Yes, KEHONG BIO provides custom synthesis services for Piperonyl butyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.