Isobutyl salicylate
TL;DR: Isobutyl salicylate (CAS 87-19-4) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylpropyl 2-hydroxybenzoate
Also Known As: Isobutyl salicylate, Isobutyl 2-hydroxybenzoate, 2-Methylpropyl 2-hydroxybenzoate, Isobutyl o-hydroxybenzoate, Orchindone
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.0943 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0943 Da |
| Heavy Atoms | 14 |
| Complexity | 189.0 |
| Melting Point | -6 °C |
| Boiling Point | 261.00 °C. @ 760.00 mm Hg |
| Density | 1.062-1.069 |
| Refractive Index | 1.506-1.570 |
| Solubility | insoluble in water, glycerol; soluble in organic solvents, oils |
| SMILES | CC(C)COC(=O)C1=CC=CC=C1O |
| InChIKey | PTXDBYSCVQQBNF-UHFFFAOYSA-N |
Product Description
Applications: Isobutyl salicylate is used in surfactant and detergent formulations, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isobutyl salicylate (CAS 87-19-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Isobutyl salicylate (CAS 87-19-4) is a surfactant raw material with the molecular formula C11H14O3 and a molecular weight of 194.09 g/mol. Key physical properties include a density of 1.062-1.069 g/cm³, a solubility: insoluble in water, glycerol; soluble in organic solvents, oils. It is also known as Isobutyl salicylate and Isobutyl 2-hydroxybenzoate.
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 Isobutyl salicylate
Property Insights of Isobutyl salicylate
The XLogP value of 3.9 indicates that Isobutyl salicylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Isobutyl salicylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl salicylate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isobutyl salicylate?
The CAS number of Isobutyl salicylate is 87-19-4.
What is the molecular formula of Isobutyl salicylate?
The molecular formula of Isobutyl salicylate is C11H14O3.
What is the molecular weight of Isobutyl salicylate?
The molecular weight of Isobutyl salicylate is 194.0943 g/mol.
What are the applications of Isobutyl salicylate?
Isobutyl salicylate is used in surfactant and detergent formulations, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isobutyl salicylate (CAS 87-19-4) with custom synthesis available from...
Where can I buy Isobutyl salicylate?
You can request a quote for Isobutyl salicylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobutyl salicylate?
Yes, CoreyChem provides custom synthesis services for Isobutyl salicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.