2-Phenylethyl pivalate
TL;DR: 2-Phenylethyl pivalate (CAS 67662-96-8) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 2,2-dimethylpropanoate
Also Known As: Phenethyl pivalate, 2-Phenylethyl pivalate, Pivarose, Centifolyl, Phenylethyl pivalate
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 67662-96-8 |
|---|---|
| SMILES | CC(C)(C)C(=O)OCCC1=CC=CC=C1 |
| InChIKey | DPVYDTACPLLHCF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenylethyl pivalate (CAS 67662-96-8), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 2-phenylethyl 2,2-dimethylpropanoate.
Chemical Property Profile of 2-Phenylethyl pivalate
Property Insights of 2-Phenylethyl pivalate
The XLogP value of 3.7 indicates that 2-Phenylethyl pivalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Phenylethyl pivalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylethyl pivalate 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 2-Phenylethyl pivalate?
The CAS number of 2-Phenylethyl pivalate is 67662-96-8.
What is the molecular formula of 2-Phenylethyl pivalate?
The molecular formula of 2-Phenylethyl pivalate is C13H18O2.
What is the molecular weight of 2-Phenylethyl pivalate?
The molecular weight of 2-Phenylethyl pivalate is 206.13 g/mol.
Where can I buy 2-Phenylethyl pivalate?
You can request a quote for 2-Phenylethyl pivalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylethyl pivalate?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylethyl pivalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.