2-Ethylhexyl isoundecyl phthalate
TL;DR: 2-Ethylhexyl isoundecyl phthalate (CAS 98088-96-1) is a chemical compound with molecular formula C27H44O4 and molecular weight 432.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-(2-ethylhexyl) 1-O-(9-methyldecyl) benzene-1,2-dicarboxylate
Also Known As: 2-Ethylhexyl isoundecyl phthalate, 2-ethylhexyl 9-methyldecyl benzene-1,2-dicarboxylate, 2-O-(2-ethylhexyl) 1-O-(9-methyldecyl) benzene-1,2-dicarboxylate, EINECS 308-570-5
| Molecular Formula | C27H44O4 |
|---|---|
| Molecular Weight | 432.32 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 432.32397 |
| Heavy Atoms | 31 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 98088-96-1 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC(C)C |
| InChIKey | KGLFTUQVQYGQMS-UHFFFAOYSA-N |
Product Overview
2-Ethylhexyl isoundecyl phthalate (CAS 98088-96-1), with molecular formula C27H44O4 and molecular weight 432.32 g/mol. IUPAC: 2-O-(2-ethylhexyl) 1-O-(9-methyldecyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of 2-Ethylhexyl isoundecyl phthalate
Property Insights of 2-Ethylhexyl isoundecyl phthalate
The XLogP value of 9.1 indicates that 2-Ethylhexyl isoundecyl 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 isoundecyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexyl isoundecyl 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 isoundecyl phthalate?
The CAS number of 2-Ethylhexyl isoundecyl phthalate is 98088-96-1.
What is the molecular formula of 2-Ethylhexyl isoundecyl phthalate?
The molecular formula of 2-Ethylhexyl isoundecyl phthalate is C27H44O4.
What is the molecular weight of 2-Ethylhexyl isoundecyl phthalate?
The molecular weight of 2-Ethylhexyl isoundecyl phthalate is 432.32 g/mol.
Where can I buy 2-Ethylhexyl isoundecyl phthalate?
You can request a quote for 2-Ethylhexyl isoundecyl 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 isoundecyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexyl isoundecyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.