Mono-n-octyl phthalate
TL;DR: Mono-n-octyl phthalate (CAS 5393-19-1) is a chemical compound with molecular formula C16H22O4 and molecular weight 278.1518 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-octoxycarbonylbenzoic acid
Also Known As: Monooctyl phthalate, Octyl hydrogen phthalate, Mono-n-octyl phthalate, Hydrogen octyl phthalate, Phthalic acid, octyl ester
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H22O4 |
| Molecular Weight | 278.1518 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 278.1518 Da |
| Heavy Atoms | 20 |
| Complexity | 301.0 |
| SMILES | CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | PKIYFBICNICNGJ-UHFFFAOYSA-N |
Chemical Property Profile of Mono-n-octyl phthalate
Property Insights of Mono-n-octyl phthalate
The XLogP value of 5.3 indicates that Mono-n-octyl 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 Mono-n-octyl phthalate. Following Lipinski's Rule of Five, Mono-n-octyl phthalate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Mono-n-octyl phthalate?
The CAS number of Mono-n-octyl phthalate is 5393-19-1.
What is the molecular formula of Mono-n-octyl phthalate?
The molecular formula of Mono-n-octyl phthalate is C16H22O4.
What is the molecular weight of Mono-n-octyl phthalate?
The molecular weight of Mono-n-octyl phthalate is 278.1518 g/mol.
Where can I buy Mono-n-octyl phthalate?
You can request a quote for Mono-n-octyl phthalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Mono-n-octyl phthalate?
Yes, CoreyChem provides custom synthesis services for Mono-n-octyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.