2-Ethylhexyl butyl phthalate
TL;DR: 2-Ethylhexyl butyl phthalate (CAS 85-69-8) is a chemical compound with molecular formula C20H30O4 and molecular weight 334.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-butyl 2-O-(2-ethylhexyl) benzene-1,2-dicarboxylate
Also Known As: Butyl 2-ethylhexyl phthalate, butyl-2-ethylhexylphthalat, Butyl 2ethylhexyl phthalate, Phthalic acid, butyl 2-ethylhexyl ester, 2-ETHYLHEXYL BUTYL PHTHALATE
| Molecular Formula | C20H30O4 |
|---|---|
| Molecular Weight | 334.21 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 334.21442 |
| Heavy Atoms | 24 |
| Complexity | 367.0 |
| Solubility | Phthalate esters are soluble to various extents in many common organic solvents and oils, but have a relatively low solubility in water. /Phthalate esters/ |
| Vapor Pressure | 0.0000236 [mmHg] |
Chemical Identifiers
| CAS Number | 85-69-8 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCCCC |
| InChIKey | AVOLBYOSCILFLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethylhexyl butyl phthalate (CAS 85-69-8), with molecular formula C20H30O4 and molecular weight 334.21 g/mol. IUPAC: 1-O-butyl 2-O-(2-ethylhexyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of 2-Ethylhexyl butyl phthalate
Property Insights of 2-Ethylhexyl butyl phthalate
The XLogP value of 5.6 indicates that 2-Ethylhexyl butyl 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 butyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexyl butyl 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 butyl phthalate?
The CAS number of 2-Ethylhexyl butyl phthalate is 85-69-8.
What is the molecular formula of 2-Ethylhexyl butyl phthalate?
The molecular formula of 2-Ethylhexyl butyl phthalate is C20H30O4.
What is the molecular weight of 2-Ethylhexyl butyl phthalate?
The molecular weight of 2-Ethylhexyl butyl phthalate is 334.21 g/mol.
Where can I buy 2-Ethylhexyl butyl phthalate?
You can request a quote for 2-Ethylhexyl butyl 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 butyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexyl butyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.