Butylparaben
TL;DR: Butylparaben (CAS 94-26-8) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl 4-hydroxybenzoate
Also Known As: BUTYLPARABEN, Butyl 4-hydroxybenzoate, Butyl paraben, Nipabutyl, Butoben
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.0943 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.0943 Da |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
| Melting Point | 154 to 156 °F (NTP, 1992) |
| Boiling Point | 156.00 to 157.00 °C. @ 3.50 mm Hg |
| Flash Point | 181 °C |
| Vapor Pressure | 0.000186 [mmHg] |
| Solubility | less than 1 mg/mL at 63 °F (NTP, 1992) |
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)O |
| InChIKey | QFOHBWFCKVYLES-UHFFFAOYSA-N |
Product Description
Applications: Butylparaben is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Butylparaben is a pharmaceutical intermediate identified by CAS number 94-26-8 and the molecular formula C11H14O3 and a molecular weight of 194.09 g/mol. Physically, the compound has a solubility: less than 1 mg/mL at 63 °F (NTP, 1992). Synonyms include BUTYLPARABEN and Butyl 4-hydroxybenzoate.
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 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
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 194.0943 g/mol.
What are the applications of Butylparaben?
Butylparaben is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Butylparaben?
You can request a quote for Butylparaben directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butylparaben?
Yes, CoreyChem provides custom synthesis services for Butylparaben and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.