Isoamyl salicylate
TL;DR: Isoamyl salicylate (CAS 87-20-7) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylbutyl 2-hydroxybenzoate
Also Known As: Isoamyl salicylate, Isopentyl 2-Hydroxybenzoate, Isopentyl salicylate, 3-Methylbutyl 2-hydroxybenzoate, 3-Methylbutyl salicylate
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.10994 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 Da |
| Heavy Atoms | 15 |
| Complexity | 201.0 |
| Boiling Point | 277.00 to 278.00 °C. @ 760.00 mm Hg |
| Density | 1.046-1.055 |
| Refractive Index | 1.504-1.509 |
| Solubility | 0.145 mg/mL at 25 °C |
| SMILES | CC(C)CCOC(=O)C1=CC=CC=C1O |
| InChIKey | PMGCQNGBLMMXEW-UHFFFAOYSA-N |
Product Description
Applications: Isoamyl 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 Isoamyl salicylate (CAS 87-20-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Isoamyl salicylate (CAS 87-20-7) is a surfactant raw material with the molecular formula C12H16O3 and a molecular weight of 208.11 g/mol. Key physical properties include a density of 1.046-1.055 g/cm³, a solubility: 0.145 mg/mL at 25 °C. It is also known as Isoamyl salicylate and Isopentyl 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 Isoamyl salicylate
Property Insights of Isoamyl salicylate
The XLogP value of 4.6 indicates that Isoamyl 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, Isoamyl salicylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoamyl 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 Isoamyl salicylate?
The CAS number of Isoamyl salicylate is 87-20-7.
What is the molecular formula of Isoamyl salicylate?
The molecular formula of Isoamyl salicylate is C12H16O3.
What is the molecular weight of Isoamyl salicylate?
The molecular weight of Isoamyl salicylate is 208.10994 g/mol.
What are the applications of Isoamyl salicylate?
Isoamyl 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 Isoamyl salicylate (CAS 87-20-7) with custom synthesis available from...
Where can I buy Isoamyl salicylate?
You can request a quote for Isoamyl salicylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoamyl salicylate?
Yes, CoreyChem provides custom synthesis services for Isoamyl salicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.