Butylparaben
TL;DR: Butylparaben (CAS 94-26-8) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-hydroxybenzoate
Also Known As: BUTYLPARABEN, Butyl 4-hydroxybenzoate, Butyl paraben, Nipabutyl, Butoben
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
| Melting Point | 154 to 68.9 °C |
| Boiling Point | 156.00 to 157.00 °C. @ 3.50 mm Hg |
| Solubility | less than 1 mg/mL at 63 °F (NTP, 1992) |
| Flash Point | 181 °C |
| Vapor Pressure | 0.000186 [mmHg] |
Chemical Identifiers
| CAS Number | 94-26-8 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)O |
| InChIKey | QFOHBWFCKVYLES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butylparaben (CAS 94-26-8), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: butyl 4-hydroxybenzoate.
Chemical Property Profile of Butylparaben
Property Insights of Butylparaben
The XLogP value of 3.6 indicates that Butylparaben is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Butylparaben exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butylparaben 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 Butylparaben?
The CAS number of Butylparaben is 94-26-8.
What is the molecular formula of Butylparaben?
The molecular formula of Butylparaben is C11H14O3.
What is the molecular weight of Butylparaben?
The molecular weight of Butylparaben is 194.09 g/mol.
Where can I buy Butylparaben?
You can request a quote for Butylparaben directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butylparaben?
Yes, KEHONG BIO provides custom synthesis services for Butylparaben and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.