Butyl hexyl phthalate
TL;DR: Butyl hexyl phthalate (CAS 88216-60-8) is a chemical compound with molecular formula C18H26O4 and molecular weight 306.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-butyl 2-O-hexyl benzene-1,2-dicarboxylate
Also Known As: Butyl hexyl phthalate, Butylhexylphthalat, Phthalic acid, butyl hexyl ester, Butyl hexyl benzene-1,2-dicarboxylate, 1-O-butyl 2-O-hexyl benzene-1,2-dicarboxylate
| Molecular Formula | C18H26O4 |
|---|---|
| Molecular Weight | 306.18 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 306.1831 |
| Heavy Atoms | 22 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 88216-60-8 |
|---|---|
| SMILES | CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC |
| InChIKey | LKVQWLUFJXBHKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl hexyl phthalate (CAS 88216-60-8), with molecular formula C18H26O4 and molecular weight 306.18 g/mol. IUPAC: 1-O-butyl 2-O-hexyl benzene-1,2-dicarboxylate.
Chemical Property Profile of Butyl hexyl phthalate
Property Insights of Butyl hexyl phthalate
The XLogP value of 5.8 indicates that Butyl hexyl 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 hexyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl hexyl 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 hexyl phthalate?
The CAS number of Butyl hexyl phthalate is 88216-60-8.
What is the molecular formula of Butyl hexyl phthalate?
The molecular formula of Butyl hexyl phthalate is C18H26O4.
What is the molecular weight of Butyl hexyl phthalate?
The molecular weight of Butyl hexyl phthalate is 306.18 g/mol.
Where can I buy Butyl hexyl phthalate?
You can request a quote for Butyl hexyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl hexyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Butyl hexyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.