Butyl octyl phthalate
TL;DR: Butyl octyl phthalate (CAS 84-78-6) 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-octyl benzene-1,2-dicarboxylate
Also Known As: Butyl octyl phthalate, Plasticizer OBP, Staflex BOP, Plasticizer BOP, Truflex OBP
| Molecular Formula | C20H30O4 |
|---|---|
| Molecular Weight | 334.21 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 334.21442 |
| Heavy Atoms | 24 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 84-78-6 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC |
| InChIKey | MURWRBWZIMXKGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl octyl phthalate (CAS 84-78-6), with molecular formula C20H30O4 and molecular weight 334.21 g/mol. IUPAC: 1-O-butyl 2-O-octyl benzene-1,2-dicarboxylate.
Chemical Property Profile of Butyl octyl phthalate
Property Insights of Butyl octyl phthalate
The XLogP value of 6.9 indicates that Butyl octyl 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, Butyl octyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl octyl 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 Butyl octyl phthalate?
The CAS number of Butyl octyl phthalate is 84-78-6.
What is the molecular formula of Butyl octyl phthalate?
The molecular formula of Butyl octyl phthalate is C20H30O4.
What is the molecular weight of Butyl octyl phthalate?
The molecular weight of Butyl octyl phthalate is 334.21 g/mol.
Where can I buy Butyl octyl phthalate?
You can request a quote for Butyl octyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl octyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Butyl octyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.