Monobutyl phthalate
TL;DR: Monobutyl phthalate (CAS 131-70-4) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.0892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-butoxycarbonylbenzoic acid
Also Known As: MONOBUTYL PHTHALATE, 2-(Butoxycarbonyl)benzoic acid, Butyl hydrogen phthalate, Mono-n-butyl phthalate, Monobutylphthalate
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.0892 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.0892 Da |
| Heavy Atoms | 16 |
| Complexity | 249.0 |
| Melting Point | 73.5 °C |
| SMILES | CCCCOC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | YZBOVSFWWNVKRJ-UHFFFAOYSA-N |
Product Description
Applications: Monobutyl phthalate is used in polymer chemistry and functional materials synthesis, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Monobutyl phthalate is a polymer intermediate identified by CAS number 131-70-4 and the molecular formula C12H14O4 and a molecular weight of 222.09 g/mol. Synonyms include MONOBUTYL PHTHALATE and 2-(Butoxycarbonyl)benzoic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Monobutyl phthalate
Property Insights of Monobutyl phthalate
The XLogP value of 3.1 indicates that Monobutyl 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 Monobutyl phthalate. Following Lipinski's Rule of Five, Monobutyl phthalate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Monobutyl phthalate?
The CAS number of Monobutyl phthalate is 131-70-4.
What is the molecular formula of Monobutyl phthalate?
The molecular formula of Monobutyl phthalate is C12H14O4.
What is the molecular weight of Monobutyl phthalate?
The molecular weight of Monobutyl phthalate is 222.0892 g/mol.
What are the applications of Monobutyl phthalate?
Monobutyl phthalate is used in polymer chemistry and functional materials synthesis, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project...
Where can I buy Monobutyl phthalate?
You can request a quote for Monobutyl phthalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Monobutyl phthalate?
Yes, CoreyChem provides custom synthesis services for Monobutyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.