Benzenepropanol, alpha,gamma,gamma-trimethyl-, 1-acetate
TL;DR: Benzenepropanol, alpha,gamma,gamma-trimethyl-, 1-acetate (CAS 68083-58-9) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-4-phenylpentan-2-yl) acetate
Also Known As: Vetikolacetate, 4-Methyl-4-phenyl-2-pentyl acetate, 1,3-Dimethyl-3-phenylbutyl acetate, VETIKOL ACETATE, 3-Phenyl-1,3-dimethylbutyl acetate
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 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 | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 68083-58-9 |
|---|---|
| SMILES | CC(CC(C)(C)C1=CC=CC=C1)OC(=O)C |
| InChIKey | MXIGGIZQUGDKAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenepropanol, alpha,gamma,gamma-trimethyl-, 1-acetate (CAS 68083-58-9), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: (4-methyl-4-phenylpentan-2-yl) acetate.
Chemical Property Profile of Benzenepropanol, alpha,gamma,gamma-trimethyl-, 1-acetate
Property Insights of Benzenepropanol, alpha,gamma,gamma-trimethyl-, 1-acetate
The XLogP value of 3.7 indicates that Benzenepropanol, alpha,gamma,gamma-trimethyl-, 1-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzenepropanol, alpha,gamma,gamma-trimethyl-, 1-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanol, alpha,gamma,gamma-trimethyl-, 1-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 Benzenepropanol, alpha,gamma,gamma-trimethyl-, 1-acetate?
The CAS number of Benzenepropanol, alpha,gamma,gamma-trimethyl-, 1-acetate is 68083-58-9.
What is the molecular formula of Benzenepropanol, alpha,gamma,gamma-trimethyl-, 1-acetate?
The molecular formula of Benzenepropanol, alpha,gamma,gamma-trimethyl-, 1-acetate is C14H20O2.
What is the molecular weight of Benzenepropanol, alpha,gamma,gamma-trimethyl-, 1-acetate?
The molecular weight of Benzenepropanol, alpha,gamma,gamma-trimethyl-, 1-acetate is 220.15 g/mol.
Where can I buy Benzenepropanol, alpha,gamma,gamma-trimethyl-, 1-acetate?
You can request a quote for Benzenepropanol, alpha,gamma,gamma-trimethyl-, 1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanol, alpha,gamma,gamma-trimethyl-, 1-acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanol, alpha,gamma,gamma-trimethyl-, 1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.