Dodecyl butyrate
TL;DR: Dodecyl butyrate (CAS 42330-88-1) is a chemical compound with molecular formula C16H32O2 and molecular weight 256.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl butanoate
Also Known As: Dodecyl butyrate, dodecyl butanoate, Butanoic acid, dodecyl ester, n-dodecyl butyrate, DODECYLBUTYRATE
| Molecular Formula | C16H32O2 |
|---|---|
| Molecular Weight | 256.24 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 256.24023 |
| Heavy Atoms | 18 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 42330-88-1 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)CCC |
| InChIKey | JEPXJYKYHMEESP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dodecyl butyrate (CAS 42330-88-1), with molecular formula C16H32O2 and molecular weight 256.24 g/mol. IUPAC: dodecyl butanoate.
Chemical Property Profile of Dodecyl butyrate
Property Insights of Dodecyl butyrate
The XLogP value of 6.4 indicates that Dodecyl butyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Dodecyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dodecyl butyrate 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 Dodecyl butyrate?
The CAS number of Dodecyl butyrate is 42330-88-1.
What is the molecular formula of Dodecyl butyrate?
The molecular formula of Dodecyl butyrate is C16H32O2.
What is the molecular weight of Dodecyl butyrate?
The molecular weight of Dodecyl butyrate is 256.24 g/mol.
Where can I buy Dodecyl butyrate?
You can request a quote for Dodecyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for Dodecyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.