Piperonyl alcohol
TL;DR: Piperonyl alcohol (CAS 495-76-1) is a chemical compound with molecular formula C8H8O3 and molecular weight 152.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-ylmethanol
Also Known As: Piperonyl alcohol, Piperonol, 1,3-Benzodioxol-5-ylmethanol, Benzo[d][1,3]dioxol-5-ylmethanol, Heliotropyl alcohol
| Molecular Formula | C8H8O3 |
|---|---|
| Molecular Weight | 152.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.04735 |
| Heavy Atoms | 11 |
| Complexity | 137.0 |
| Melting Point | 58 °C |
| Boiling Point | BP: 157 °C at 16 mm Hg |
| Solubility | Slightly soluble in water |
| Vapor Pressure | 0.000254 [mmHg] |
Chemical Identifiers
| CAS Number | 495-76-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CO |
| InChIKey | BHUIUXNAPJIDOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Piperonyl alcohol (CAS 495-76-1), with molecular formula C8H8O3 and molecular weight 152.05 g/mol. IUPAC: 1,3-benzodioxol-5-ylmethanol.
Chemical Property Profile of Piperonyl alcohol
Property Insights of Piperonyl alcohol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperonyl alcohol. With a topological polar surface area (TPSA) of 38.7 Ų, Piperonyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperonyl alcohol has 1 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 alcohol?
The CAS number of Piperonyl alcohol is 495-76-1.
What is the molecular formula of Piperonyl alcohol?
The molecular formula of Piperonyl alcohol is C8H8O3.
What is the molecular weight of Piperonyl alcohol?
The molecular weight of Piperonyl alcohol is 152.05 g/mol.
Where can I buy Piperonyl alcohol?
You can request a quote for Piperonyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperonyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for Piperonyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.