3-Phenylpropyl acetate
TL;DR: 3-Phenylpropyl acetate (CAS 122-72-5) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylpropyl acetate
Also Known As: 3-Phenylpropyl acetate, Hydrocinnamyl acetate, Benzenepropanol, acetate, Benzenepropanol, 1-acetate, Phenylpropyl acetate
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 148.0 |
| Boiling Point | 244.00 to 245.00 °C. @ 760.00 mm Hg |
| Density | 1.011-1.020 |
| Solubility | insoluble in water; soluble in oils |
| Refractive Index | 1.494-1.498 |
Chemical Identifiers
| CAS Number | 122-72-5 |
|---|---|
| SMILES | CC(=O)OCCCC1=CC=CC=C1 |
| InChIKey | JRJGKUTZNBZHNK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenylpropyl acetate (CAS 122-72-5), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 3-phenylpropyl acetate.
Chemical Property Profile of 3-Phenylpropyl acetate
Property Insights of 3-Phenylpropyl acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenylpropyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Phenylpropyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylpropyl acetate 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 3-Phenylpropyl acetate?
The CAS number of 3-Phenylpropyl acetate is 122-72-5.
What is the molecular formula of 3-Phenylpropyl acetate?
The molecular formula of 3-Phenylpropyl acetate is C11H14O2.
What is the molecular weight of 3-Phenylpropyl acetate?
The molecular weight of 3-Phenylpropyl acetate is 178.10 g/mol.
Where can I buy 3-Phenylpropyl acetate?
You can request a quote for 3-Phenylpropyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylpropyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylpropyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.