3-Acetoxydodecane
TL;DR: 3-Acetoxydodecane (CAS 60826-26-8) 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.
dodecan-3-yl acetate
Also Known As: 3-Acetoxydodecane, dodecan-3-yl acetate, 1-Ethyldecyl acetate, 1-Ethyldecyl acetate #, ethyl methyl decyl formate
| Molecular Formula | C14H28O2 |
|---|---|
| Molecular Weight | 228.21 g/mol |
| LogP | 5.6 |
| 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 | 60826-26-8 |
|---|---|
| SMILES | CCCCCCCCCC(CC)OC(=O)C |
| InChIKey | UFPTVIVEVKFJOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Acetoxydodecane (CAS 60826-26-8), with molecular formula C14H28O2 and molecular weight 228.21 g/mol. IUPAC: dodecan-3-yl acetate.
Chemical Property Profile of 3-Acetoxydodecane
Property Insights of 3-Acetoxydodecane
The XLogP value of 5.6 indicates that 3-Acetoxydodecane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Acetoxydodecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetoxydodecane 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 3-Acetoxydodecane?
The CAS number of 3-Acetoxydodecane is 60826-26-8.
What is the molecular formula of 3-Acetoxydodecane?
The molecular formula of 3-Acetoxydodecane is C14H28O2.
What is the molecular weight of 3-Acetoxydodecane?
The molecular weight of 3-Acetoxydodecane is 228.21 g/mol.
Where can I buy 3-Acetoxydodecane?
You can request a quote for 3-Acetoxydodecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetoxydodecane?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetoxydodecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.