Ethylparaben
TL;DR: Ethylparaben (CAS 120-47-8) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-hydroxybenzoate
Also Known As: Ethylparaben, ETHYL 4-HYDROXYBENZOATE, Ethyl paraben, Ethyl p-hydroxybenzoate, Mycocten
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
| Melting Point | ofp-hydroxybenzoic acid isolated by acidification and not recrystallised: 213 °C to 217 °C, after vacuum drying in a sulphuric acid desiccator |
| Boiling Point | 297-298 °C (decomposition) |
| Solubility | In water, 8.85X10+2 mg/L at 25 °C |
| Vapor Pressure | 0.0000929 [mmHg] |
Chemical Identifiers
| CAS Number | 120-47-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)O |
| InChIKey | NUVBSKCKDOMJSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethylparaben (CAS 120-47-8), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: ethyl 4-hydroxybenzoate.
Chemical Property Profile of Ethylparaben
Property Insights of Ethylparaben
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethylparaben. With a topological polar surface area (TPSA) of 46.5 Ų, Ethylparaben exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethylparaben 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 Ethylparaben?
The CAS number of Ethylparaben is 120-47-8.
What is the molecular formula of Ethylparaben?
The molecular formula of Ethylparaben is C9H10O3.
What is the molecular weight of Ethylparaben?
The molecular weight of Ethylparaben is 166.06 g/mol.
Where can I buy Ethylparaben?
You can request a quote for Ethylparaben directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethylparaben?
Yes, KEHONG BIO provides custom synthesis services for Ethylparaben and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.