Octanoic acid, 8-isothiocyanato-, ethyl ester CAS 111823-31-5
| CAS No. | 111823-31-5 |
| Molecular Formula | C11H19NO2S |
| Molecular Weight | 229.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of Octanoic acid, 8-isothiocyanato-, ethyl ester (C11H19NO2S) is characterized by an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
CATO supplies Octanoic acid, 8-isothiocyanato-, ethyl ester (CAS 111823-31-5), a certified reference material (molecular formula C11H19NO2S, MW 229.34 g/mol) for analytical method development and quality control.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C11H19NO2S |
| Molecular Weight | 229.34 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1988 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Octanoic Standards
- 2-Acetyl-octanoic Acid Methyl Ester (CAS 70203-04-2)
- n-Octanoic Anhydride (CAS 623-66-5)
- 2-METHYL OCTANOIC ACID CHLORIDE (CAS 43152-88-1)
- Octanoic Acid Ethyl Ester (CAS 106-32-1)
- 14292-27-4 3-OH octanoic acid 3-OH-caprylic acid 3-hydroxy-octanoic acid 3-hydroxycaprylic acid 3-hydroxyoctanoic acid 3HO CHEBI:37098 beta-OH-caprylic acid beta-OH-octanoic acid beta-hydroxycaprylic acid beta-hydroxyoctanoic acid (CAS 14292-27-4)
- Octanoic Acid-D15 (CAS 69974-55-6)
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