p-Isopropylbenzyl acetate
TL;DR: p-Isopropylbenzyl acetate (CAS 59230-57-8) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-propan-2-ylphenyl)methyl acetate
Also Known As: Cuminyl acetate, 4-Isopropylbenzyl acetate, p-Isopropylbenzyl acetate, CUMINYLACETATE, p-Cymen-7-ol acetate
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 59230-57-8 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)COC(=O)C |
| InChIKey | QBCRVYRADYXNOW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Isopropylbenzyl acetate (CAS 59230-57-8), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: (4-propan-2-ylphenyl)methyl acetate.
Chemical Property Profile of p-Isopropylbenzyl acetate
Property Insights of p-Isopropylbenzyl acetate
The XLogP value of 3.2 indicates that p-Isopropylbenzyl 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, p-Isopropylbenzyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Isopropylbenzyl 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 p-Isopropylbenzyl acetate?
The CAS number of p-Isopropylbenzyl acetate is 59230-57-8.
What is the molecular formula of p-Isopropylbenzyl acetate?
The molecular formula of p-Isopropylbenzyl acetate is C12H16O2.
What is the molecular weight of p-Isopropylbenzyl acetate?
The molecular weight of p-Isopropylbenzyl acetate is 192.12 g/mol.
Where can I buy p-Isopropylbenzyl acetate?
You can request a quote for p-Isopropylbenzyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Isopropylbenzyl acetate?
Yes, KEHONG BIO provides custom synthesis services for p-Isopropylbenzyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.