beta-Ionyl acetate
TL;DR: beta-Ionyl acetate (CAS 22030-19-9) is a chemical compound with molecular formula C15H24O2 and molecular weight 236.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl acetate
Also Known As: beta-Ionyl acetate, b-Ionyl acetate, beta-lonyl acetate, beta-Ionol acetate, .beta.-Ionyl acetate
| Molecular Formula | C15H24O2 |
|---|---|
| Molecular Weight | 236.18 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.17763 |
| Heavy Atoms | 17 |
| Complexity | 348.0 |
| Density | 0.934-0.944 |
| Solubility | Soluble in fats; Insoluble in water |
| Refractive Index | 1.474-1.484 |
Chemical Identifiers
| CAS Number | 22030-19-9 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)C=CC(C)OC(=O)C |
| InChIKey | WODKSVNXBYBTQC-UHFFFAOYSA-N |
Product Overview
beta-Ionyl acetate (CAS 22030-19-9), with molecular formula C15H24O2 and molecular weight 236.18 g/mol. IUPAC: 4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl acetate.
Chemical Property Profile of beta-Ionyl acetate
Property Insights of beta-Ionyl acetate
The XLogP value of 3.5 indicates that beta-Ionyl 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, beta-Ionyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Ionyl 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 beta-Ionyl acetate?
The CAS number of beta-Ionyl acetate is 22030-19-9.
What is the molecular formula of beta-Ionyl acetate?
The molecular formula of beta-Ionyl acetate is C15H24O2.
What is the molecular weight of beta-Ionyl acetate?
The molecular weight of beta-Ionyl acetate is 236.18 g/mol.
Where can I buy beta-Ionyl acetate?
You can request a quote for beta-Ionyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Ionyl acetate?
Yes, KEHONG BIO provides custom synthesis services for beta-Ionyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.