Piperonyl Butoxide
TL;DR: Piperonyl Butoxide (CAS 51-03-6) is a chemical compound with molecular formula C19H30O5 and molecular weight 338.20932 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole
Also Known As: PIPERONYL BUTOXIDE, Butacide, Butocide, Butoxide, Piperonylbutoxide
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H30O5 |
| Molecular Weight | 338.20932 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 46.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 338.20932 Da |
| Heavy Atoms | 24 |
| Complexity | 312.0 |
| Boiling Point | 356 °F at 1 mmHg (NTP, 1992) |
| Density | 1.04 to 1.07 at 68 °F (NTP, 1992) |
| Flash Point | 340 °F (NTP, 1992) |
| Vapor Pressure | 0.00000026 [mmHg] |
| Refractive Index | Index of refraction: 1.50 at 20 °C/D |
| Solubility | less than 1 mg/mL at 64 °F (NTP, 1992) |
| SMILES | CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2 |
| InChIKey | FIPWRIJSWJWJAI-UHFFFAOYSA-N |
Product Description
Applications: Piperonyl Butoxide is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as an oxidizing agent in synthetic sequences. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Piperonyl Butoxide is a heterocyclic building block identified by CAS number 51-03-6 and the molecular formula C19H30O5 and a molecular weight of 338.21 g/mol. Physically, the compound has a density of 1.04 to 1.07 at 68 °F (NTP, 1992) g/cm³, a solubility: less than 1 mg/mL at 64 °F (NTP, 1992). Synonyms include PIPERONYL BUTOXIDE and Butacide.
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 Piperonyl Butoxide
Property Insights of Piperonyl Butoxide
The XLogP value of 3.7 indicates that Piperonyl Butoxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.2 Ų, Piperonyl Butoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperonyl Butoxide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Piperonyl Butoxide?
The CAS number of Piperonyl Butoxide is 51-03-6.
What is the molecular formula of Piperonyl Butoxide?
The molecular formula of Piperonyl Butoxide is C19H30O5.
What is the molecular weight of Piperonyl Butoxide?
The molecular weight of Piperonyl Butoxide is 338.20932 g/mol.
What are the applications of Piperonyl Butoxide?
Piperonyl Butoxide is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as an oxidizing agent in synthetic sequences. Available from CoreyChem as both catalog item and...
Where can I buy Piperonyl Butoxide?
You can request a quote for Piperonyl Butoxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Piperonyl Butoxide?
Yes, CoreyChem provides custom synthesis services for Piperonyl Butoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.