Prenyl acetate
TL;DR: Prenyl acetate (CAS 1191-16-8) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbut-2-enyl acetate
Also Known As: Prenyl acetate, 3,3-Dimethylallyl acetate, 3-Methylbut-2-en-1-yl acetate, 3-Methyl-2-butenyl acetate, Dimethylallyl acetate
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 121.0 |
| Boiling Point | 151.00 to 152.00 °C. @ 752.00 mm Hg |
| Density | 0.911-0.922 |
| Solubility | Practically insoluble to insoluble in water |
| Refractive Index | 1.424-1.428 |
Chemical Identifiers
| CAS Number | 1191-16-8 |
|---|---|
| SMILES | CC(=CCOC(=O)C)C |
| InChIKey | XXIKYCPRDXIMQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Prenyl acetate (CAS 1191-16-8), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: 3-methylbut-2-enyl acetate.
Chemical Property Profile of Prenyl acetate
Property Insights of Prenyl acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prenyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Prenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prenyl 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 Prenyl acetate?
The CAS number of Prenyl acetate is 1191-16-8.
What is the molecular formula of Prenyl acetate?
The molecular formula of Prenyl acetate is C7H12O2.
What is the molecular weight of Prenyl acetate?
The molecular weight of Prenyl acetate is 128.08 g/mol.
Where can I buy Prenyl acetate?
You can request a quote for Prenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Prenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.