Perillyl acetate
TL;DR: Perillyl acetate (CAS 15111-96-3) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-prop-1-en-2-ylcyclohexen-1-yl)methyl acetate
Also Known As: Perillyl acetate, Perilla acetate, Dihydrocuminyl acetate, p-Mentha-1,8-dien-7-yl acetate, Menthadien-7-carbinyl acetate
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 263.0 |
| Boiling Point | 218.00 to 223.00 °C. @ 760.00 mm Hg |
| Density | 0.972-0.980 |
| Solubility | very slightly |
| Refractive Index | 1.476-1.487 |
Chemical Identifiers
| CAS Number | 15111-96-3 |
|---|---|
| SMILES | CC(=C)C1CCC(=CC1)COC(=O)C |
| InChIKey | WTXBCFKGCNWPLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Perillyl acetate (CAS 15111-96-3), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: (4-prop-1-en-2-ylcyclohexen-1-yl)methyl acetate.
Chemical Property Profile of Perillyl acetate
Property Insights of Perillyl acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Perillyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Perillyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Perillyl 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 Perillyl acetate?
The CAS number of Perillyl acetate is 15111-96-3.
What is the molecular formula of Perillyl acetate?
The molecular formula of Perillyl acetate is C12H18O2.
What is the molecular weight of Perillyl acetate?
The molecular weight of Perillyl acetate is 194.13 g/mol.
Where can I buy Perillyl acetate?
You can request a quote for Perillyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Perillyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Perillyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.