Propylparaben
TL;DR: Propylparaben (CAS 94-13-3) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propyl 4-hydroxybenzoate
Also Known As: PROPYLPARABEN, Propyl 4-hydroxybenzoate, Propyl paraben, Nipasol, Propagin
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.07864 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.07864 Da |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
| Melting Point | 203 to 208 °F (NTP, 1992) |
| Boiling Point | 271 °F at 1 mmHg (NTP, 1992) |
| Density | 1.28 at 77 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 0.000555 [mmHg] |
| Refractive Index | Index of refraction: 1.5050 at 102 °C/D |
| Solubility | less than 1 mg/mL at 54 °F (NTP, 1992) |
| SMILES | CCCOC(=O)C1=CC=C(C=C1)O |
| InChIKey | QELSKZZBTMNZEB-UHFFFAOYSA-N |
Product Description
Applications: Propylparaben 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).
A pharmaceutical intermediate supplied by CoreyChem, Propylparaben (CAS 94-13-3) has the molecular formula C10H12O3 and a molecular weight of 180.08 g/mol. Reported properties include a density of 1.28 at 77 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 54 °F (NTP, 1992). Synonyms include PROPYLPARABEN and Propyl 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 Propylparaben
Property Insights of Propylparaben
The XLogP value of 3.0 indicates that Propylparaben is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Propylparaben exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propylparaben 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 Propylparaben?
The CAS number of Propylparaben is 94-13-3.
What is the molecular formula of Propylparaben?
The molecular formula of Propylparaben is C10H12O3.
What is the molecular weight of Propylparaben?
The molecular weight of Propylparaben is 180.07864 g/mol.
What are the applications of Propylparaben?
Propylparaben 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 Propylparaben?
You can request a quote for Propylparaben directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propylparaben?
Yes, CoreyChem provides custom synthesis services for Propylparaben and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.