Bis(3,5,5-trimethylhexyl) phthalate
TL;DR: Bis(3,5,5-trimethylhexyl) phthalate (CAS 14103-61-8) is a chemical compound with molecular formula C26H42O4 and molecular weight 418.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3,5,5-trimethylhexyl) benzene-1,2-dicarboxylate
Also Known As: Bis(3,5,5-trimethylhexyl) phthalate, Palatinol N, alpha-Dinonyl phthalate, Palatinol DN, Sansocizer DINP
| Molecular Formula | C26H42O4 |
|---|---|
| Molecular Weight | 418.31 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 418.30832 |
| Heavy Atoms | 30 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 14103-61-8 |
|---|---|
| SMILES | CC(CCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)CC(C)(C)C)CC(C)(C)C |
| InChIKey | GDJOUZYAIHWDCA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(3,5,5-trimethylhexyl) phthalate (CAS 14103-61-8), with molecular formula C26H42O4 and molecular weight 418.31 g/mol. IUPAC: bis(3,5,5-trimethylhexyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of Bis(3,5,5-trimethylhexyl) phthalate
Property Insights of Bis(3,5,5-trimethylhexyl) phthalate
The XLogP value of 9.1 indicates that Bis(3,5,5-trimethylhexyl) phthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Bis(3,5,5-trimethylhexyl) phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(3,5,5-trimethylhexyl) phthalate 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 Bis(3,5,5-trimethylhexyl) phthalate?
The CAS number of Bis(3,5,5-trimethylhexyl) phthalate is 14103-61-8.
What is the molecular formula of Bis(3,5,5-trimethylhexyl) phthalate?
The molecular formula of Bis(3,5,5-trimethylhexyl) phthalate is C26H42O4.
What is the molecular weight of Bis(3,5,5-trimethylhexyl) phthalate?
The molecular weight of Bis(3,5,5-trimethylhexyl) phthalate is 418.31 g/mol.
Where can I buy Bis(3,5,5-trimethylhexyl) phthalate?
You can request a quote for Bis(3,5,5-trimethylhexyl) phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(3,5,5-trimethylhexyl) phthalate?
Yes, KEHONG BIO provides custom synthesis services for Bis(3,5,5-trimethylhexyl) phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.