Citronellyl octanoate
TL;DR: Citronellyl octanoate (CAS 72934-05-5) is a chemical compound with molecular formula C18H34O2 and molecular weight 282.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyloct-6-enyl octanoate
Also Known As: Citronellyl octanoate, citronellyl caprylate, Citronellol caprylate, 3,7-dimethyloct-6-enyl octanoate, 3,7-Dimethyloct-6-en-1-yl octanoate
| Molecular Formula | C18H34O2 |
|---|---|
| Molecular Weight | 282.26 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 282.2559 |
| Heavy Atoms | 20 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 72934-05-5 |
|---|---|
| SMILES | CCCCCCCC(=O)OCCC(C)CCC=C(C)C |
| InChIKey | RDBWSCQYUJLRGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Citronellyl octanoate (CAS 72934-05-5), with molecular formula C18H34O2 and molecular weight 282.26 g/mol. IUPAC: 3,7-dimethyloct-6-enyl octanoate.
Chemical Property Profile of Citronellyl octanoate
Property Insights of Citronellyl octanoate
The XLogP value of 6.8 indicates that Citronellyl octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Citronellyl octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Citronellyl octanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Citronellyl octanoate?
The CAS number of Citronellyl octanoate is 72934-05-5.
What is the molecular formula of Citronellyl octanoate?
The molecular formula of Citronellyl octanoate is C18H34O2.
What is the molecular weight of Citronellyl octanoate?
The molecular weight of Citronellyl octanoate is 282.26 g/mol.
Where can I buy Citronellyl octanoate?
You can request a quote for Citronellyl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Citronellyl octanoate?
Yes, KEHONG BIO provides custom synthesis services for Citronellyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.