Piperonyl acetate
TL;DR: Piperonyl acetate (CAS 326-61-4) is a chemical compound with molecular formula C10H10O4 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-ylmethyl acetate
Also Known As: PIPERONYL ACETATE, Heliotropyl acetate, Heliotropin acetate, Piperonyl alcohol, acetate, 1,3-benzodioxol-5-ylmethyl acetate
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
| Melting Point | 51 °C |
| Boiling Point | 150.00 to 151.00 °C. @ 10.00 mm Hg |
| Density | 1.227-1.239 |
| Solubility | Insoluble (<1 mg/ml) (NTP, 1992) |
| Flash Point | greater than 93.3 °C |
| Refractive Index | 1.523-1.529 |
Chemical Identifiers
| CAS Number | 326-61-4 |
|---|---|
| SMILES | CC(=O)OCC1=CC2=C(C=C1)OCO2 |
| InChIKey | PFWYHTORQZAGCA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Piperonyl acetate (CAS 326-61-4), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: 1,3-benzodioxol-5-ylmethyl acetate.
Chemical Property Profile of Piperonyl acetate
Property Insights of Piperonyl acetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperonyl acetate. With a topological polar surface area (TPSA) of 44.8 Ų, Piperonyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperonyl acetate 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 Piperonyl acetate?
The CAS number of Piperonyl acetate is 326-61-4.
What is the molecular formula of Piperonyl acetate?
The molecular formula of Piperonyl acetate is C10H10O4.
What is the molecular weight of Piperonyl acetate?
The molecular weight of Piperonyl acetate is 194.06 g/mol.
Where can I buy Piperonyl acetate?
You can request a quote for Piperonyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperonyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Piperonyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.