Butylene glycol dicaprylate
TL;DR: Butylene glycol dicaprylate (CAS 4554-00-1) is a chemical compound with molecular formula C20H38O4 and molecular weight 342.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-octanoyloxybutyl octanoate
Also Known As: 1,3-Butanediol-1,3-dioctanoate, 3-octanoyloxybutyl octanoate, butylene glycol dicaprylate, Butane-1,3-diyl dioctanoate, Butane-1,3-diol bisoctanoate
| Molecular Formula | C20H38O4 |
|---|---|
| Molecular Weight | 342.28 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 342.277 |
| Heavy Atoms | 24 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 4554-00-1 |
|---|---|
| SMILES | CCCCCCCC(=O)OCCC(C)OC(=O)CCCCCCC |
| InChIKey | LFESLSYSZQYEIZ-UHFFFAOYSA-N |
Product Overview
Butylene glycol dicaprylate (CAS 4554-00-1), with molecular formula C20H38O4 and molecular weight 342.28 g/mol. IUPAC: 3-octanoyloxybutyl octanoate.
Chemical Property Profile of Butylene glycol dicaprylate
Property Insights of Butylene glycol dicaprylate
The XLogP value of 6.8 indicates that Butylene glycol dicaprylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Butylene glycol dicaprylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butylene glycol dicaprylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butylene glycol dicaprylate?
The CAS number of Butylene glycol dicaprylate is 4554-00-1.
What is the molecular formula of Butylene glycol dicaprylate?
The molecular formula of Butylene glycol dicaprylate is C20H38O4.
What is the molecular weight of Butylene glycol dicaprylate?
The molecular weight of Butylene glycol dicaprylate is 342.28 g/mol.
Where can I buy Butylene glycol dicaprylate?
You can request a quote for Butylene glycol dicaprylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butylene glycol dicaprylate?
Yes, KEHONG BIO provides custom synthesis services for Butylene glycol dicaprylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.