2-Ethylhexyl isodecyl phthalate
TL;DR: 2-Ethylhexyl isodecyl phthalate (CAS 68515-52-6) 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.
2-O-(2-ethylhexyl) 1-O-(8-methylnonyl) benzene-1,2-dicarboxylate
Also Known As: 2-Ethylhexyl isodecyl phthalate, 2-Ethylhexyl 8-methylnonyl phthalate, 2-Ethylhexyl isodecyl phthalate(Technical), Phthalic acid, 2-ethylhexyl isodecyl ester, 1,2-Benzenedicarboxylic acid, 2-ethylhexyl isodecyl ester
| Molecular Formula | C26H42O4 |
|---|---|
| Molecular Weight | 418.31 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 418.30832 |
| Heavy Atoms | 30 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 68515-52-6 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC(C)C |
| InChIKey | KRVAUPJDDLBZBB-UHFFFAOYSA-N |
Product Overview
2-Ethylhexyl isodecyl phthalate (CAS 68515-52-6), with molecular formula C26H42O4 and molecular weight 418.31 g/mol. IUPAC: 2-O-(2-ethylhexyl) 1-O-(8-methylnonyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of 2-Ethylhexyl isodecyl phthalate
Property Insights of 2-Ethylhexyl isodecyl phthalate
The XLogP value of 8.5 indicates that 2-Ethylhexyl isodecyl 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, 2-Ethylhexyl isodecyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexyl isodecyl 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 2-Ethylhexyl isodecyl phthalate?
The CAS number of 2-Ethylhexyl isodecyl phthalate is 68515-52-6.
What is the molecular formula of 2-Ethylhexyl isodecyl phthalate?
The molecular formula of 2-Ethylhexyl isodecyl phthalate is C26H42O4.
What is the molecular weight of 2-Ethylhexyl isodecyl phthalate?
The molecular weight of 2-Ethylhexyl isodecyl phthalate is 418.31 g/mol.
Where can I buy 2-Ethylhexyl isodecyl phthalate?
You can request a quote for 2-Ethylhexyl isodecyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylhexyl isodecyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexyl isodecyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.