sec-Butyl decanoate
TL;DR: sec-Butyl decanoate (CAS 55195-24-9) is a chemical compound with molecular formula C14H28O2 and molecular weight 228.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl decanoate
Also Known As: sec-Butyl decanoate, butan-2-yl decanoate, s-butyl decanoate, Decanoic acid 1-methylpropyl ester, Decanoic acid,1-methylpropyl ester
| Molecular Formula | C14H28O2 |
|---|---|
| Molecular Weight | 228.21 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 228.20892 |
| Heavy Atoms | 16 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 55195-24-9 |
|---|---|
| SMILES | CCCCCCCCCC(=O)OC(C)CC |
| InChIKey | JZLKBEXSDCSXQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
sec-Butyl decanoate (CAS 55195-24-9), with molecular formula C14H28O2 and molecular weight 228.21 g/mol. IUPAC: butan-2-yl decanoate.
Chemical Property Profile of sec-Butyl decanoate
Property Insights of sec-Butyl decanoate
The XLogP value of 5.5 indicates that sec-Butyl decanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, sec-Butyl decanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, sec-Butyl decanoate 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 sec-Butyl decanoate?
The CAS number of sec-Butyl decanoate is 55195-24-9.
What is the molecular formula of sec-Butyl decanoate?
The molecular formula of sec-Butyl decanoate is C14H28O2.
What is the molecular weight of sec-Butyl decanoate?
The molecular weight of sec-Butyl decanoate is 228.21 g/mol.
Where can I buy sec-Butyl decanoate?
You can request a quote for sec-Butyl decanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for sec-Butyl decanoate?
Yes, KEHONG BIO provides custom synthesis services for sec-Butyl decanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.