Dodecyl phthalate
TL;DR: Dodecyl phthalate (CAS 21577-80-0) 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.
2-dodecoxycarbonylbenzoic acid
Also Known As: Dodecyl phthalate, Dodecyl hydrogen phthalate, Monododecyl phthalate, 2-dodecoxycarbonylbenzoic acid, mono-Dodecylphthalat
| Molecular Formula | C20H30O4 |
|---|---|
| Molecular Weight | 334.21 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 334.21442 |
| Heavy Atoms | 24 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 21577-80-0 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | WGQVJOPQTOUKDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dodecyl phthalate (CAS 21577-80-0), with molecular formula C20H30O4 and molecular weight 334.21 g/mol. IUPAC: 2-dodecoxycarbonylbenzoic acid.
Chemical Property Profile of Dodecyl phthalate
Property Insights of Dodecyl phthalate
The XLogP value of 7.5 indicates that Dodecyl phthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dodecyl phthalate. Following Lipinski's Rule of Five, Dodecyl phthalate has 1 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 Dodecyl phthalate?
The CAS number of Dodecyl phthalate is 21577-80-0.
What is the molecular formula of Dodecyl phthalate?
The molecular formula of Dodecyl phthalate is C20H30O4.
What is the molecular weight of Dodecyl phthalate?
The molecular weight of Dodecyl phthalate is 334.21 g/mol.
Where can I buy Dodecyl phthalate?
You can request a quote for Dodecyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Dodecyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.