Decyl octyl adipate
TL;DR: Decyl octyl adipate (CAS 110-29-2) is a chemical compound with molecular formula C24H46O4 and molecular weight 398.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-O-decyl 1-O-octyl hexanedioate
Also Known As: Decyl octyl adipate, Octyl decyl adipate, Monoplex noda, Staflex NODA, Adipol ODY
| Molecular Formula | C24H46O4 |
|---|---|
| Molecular Weight | 398.34 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 23 |
| Exact Mass | 398.3396 |
| Heavy Atoms | 28 |
| Complexity | 355.0 |
| Melting Point | FP: -50 °C |
| Boiling Point | 220-254 °C @ 4 mm Hg |
| Density | 0.92-0.98 @ 20 °C/20 °C |
| Vapor Pressure | 0.00000331 [mmHg] |
| Refractive Index | 1.447 |
Chemical Identifiers
| CAS Number | 110-29-2 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC |
| InChIKey | NWSGBTCJMJADLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Decyl octyl adipate (CAS 110-29-2), with molecular formula C24H46O4 and molecular weight 398.34 g/mol. IUPAC: 6-O-decyl 1-O-octyl hexanedioate.
Chemical Property Profile of Decyl octyl adipate
Property Insights of Decyl octyl adipate
The XLogP value of 8.5 indicates that Decyl octyl adipate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Decyl octyl adipate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decyl octyl adipate 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 Decyl octyl adipate?
The CAS number of Decyl octyl adipate is 110-29-2.
What is the molecular formula of Decyl octyl adipate?
The molecular formula of Decyl octyl adipate is C24H46O4.
What is the molecular weight of Decyl octyl adipate?
The molecular weight of Decyl octyl adipate is 398.34 g/mol.
Where can I buy Decyl octyl adipate?
You can request a quote for Decyl octyl adipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decyl octyl adipate?
Yes, KEHONG BIO provides custom synthesis services for Decyl octyl adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.