苯甲酸丙酯
TL;DR: 苯甲酸丙酯 (CAS 2315-68-6) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯甲酸丙酯
propyl benzoate
Also Known As: PROPYL BENZOATE, n-Propyl benzoate, Benzoic acid, propyl ester, Propyl benzenecarboxylate, Propylbenzoate
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 137.0 |
| Melting Point | -51 - -52 °C |
| Boiling Point | 229.00 to 231.00 °C. @ 760.00 mm Hg |
| Density | 1.020-1.026 |
| Solubility | 0.351 mg/mL at 25 °C |
| Refractive Index | 1.498-1.503 |
Chemical Identifiers
| CAS Number | 2315-68-6 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=CC=C1 |
| InChIKey | UDEWPOVQBGFNGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯甲酸丙酯 (CAS 2315-68-6), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: propyl benzoate.
Chemical Property Profile of 苯甲酸丙酯
Property Insights of 苯甲酸丙酯
The XLogP value of 3.0 indicates that 苯甲酸丙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 苯甲酸丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯甲酸丙酯 has 0 hydrogen bond donor(s) and 2 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 苯甲酸丙酯?
The CAS number of 苯甲酸丙酯 is 2315-68-6.
What is the molecular formula of 苯甲酸丙酯?
The molecular formula of 苯甲酸丙酯 is C10H12O2.
What is the molecular weight of 苯甲酸丙酯?
The molecular weight of 苯甲酸丙酯 is 164.08 g/mol.
Where can I buy 苯甲酸丙酯?
You can request a quote for 苯甲酸丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯甲酸丙酯?
Yes, KEHONG BIO provides custom synthesis services for 苯甲酸丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.