Butyl nonyl phthalate
TL;DR: Butyl nonyl phthalate (CAS 3461-31-2) is a chemical compound with molecular formula C21H32O4 and molecular weight 348.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-butyl 2-O-nonyl benzene-1,2-dicarboxylate
Also Known As: Butyl nonyl phthalate, Butyl nonyl phtalate, Phthalic acid, butyl nonyl ester, 1-O-butyl 2-O-nonyl benzene-1,2-dicarboxylate, Butyl nonyl benzene-1,2-dicarboxylate
| Molecular Formula | C21H32O4 |
|---|---|
| Molecular Weight | 348.23 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 348.23007 |
| Heavy Atoms | 25 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 3461-31-2 |
|---|---|
| SMILES | CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC |
| InChIKey | VDNXOMXXJXUGHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl nonyl phthalate (CAS 3461-31-2), with molecular formula C21H32O4 and molecular weight 348.23 g/mol. IUPAC: 1-O-butyl 2-O-nonyl benzene-1,2-dicarboxylate.
Chemical Property Profile of Butyl nonyl phthalate
Property Insights of Butyl nonyl phthalate
The XLogP value of 7.4 indicates that Butyl nonyl 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 nonyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl nonyl 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 nonyl phthalate?
The CAS number of Butyl nonyl phthalate is 3461-31-2.
What is the molecular formula of Butyl nonyl phthalate?
The molecular formula of Butyl nonyl phthalate is C21H32O4.
What is the molecular weight of Butyl nonyl phthalate?
The molecular weight of Butyl nonyl phthalate is 348.23 g/mol.
Where can I buy Butyl nonyl phthalate?
You can request a quote for Butyl nonyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl nonyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Butyl nonyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.