Methylparaben
TL;DR: Methylparaben (CAS 99-76-3) is a chemical compound with molecular formula C8H8O3 and molecular weight 152.04735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-hydroxybenzoate
Also Known As: Methyl 4-hydroxybenzoate, METHYLPARABEN, Methyl paraben, Nipagin, Methyl p-hydroxybenzoate
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H8O3 |
| Molecular Weight | 152.04735 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.04735 Da |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
| Melting Point | ofp-hydroxybenzoic acid derived from the sample is 213 °C to 217 °C after drying for two hours at 80 °C |
| Boiling Point | 270.5 °C (decomposes) |
| Vapor Pressure | 0.000237 [mmHg] |
| Solubility | In water, 2.50X10+3 mg/L at 25 °C |
| SMILES | COC(=O)C1=CC=C(C=C1)O |
| InChIKey | LXCFILQKKLGQFO-UHFFFAOYSA-N |
Product Description
Applications: Methylparaben 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. CoreyChem supplies Methylparaben (CAS 99-76-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Methylparaben is a pharmaceutical intermediate identified by CAS number 99-76-3 and the molecular formula C8H8O3 and a molecular weight of 152.05 g/mol. Physically, the compound has a solubility: In water, 2.50X10+3 mg/L at 25 °C. It is also known as Methyl 4-hydroxybenzoate and METHYLPARABEN.
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 Methylparaben
Property Insights of Methylparaben
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylparaben. With a topological polar surface area (TPSA) of 46.5 Ų, Methylparaben exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylparaben 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 Methylparaben?
The CAS number of Methylparaben is 99-76-3.
What is the molecular formula of Methylparaben?
The molecular formula of Methylparaben is C8H8O3.
What is the molecular weight of Methylparaben?
The molecular weight of Methylparaben is 152.04735 g/mol.
What are the applications of Methylparaben?
Methylparaben 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. CoreyChem supplies Methylparaben (CAS 99-76-3) with custom...
Where can I buy Methylparaben?
You can request a quote for Methylparaben directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methylparaben?
Yes, CoreyChem provides custom synthesis services for Methylparaben and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.