2-Octyl isothiocyanate CAS 69626-80-8
| CAS No. | 69626-80-8 |
| Molecular Formula | C9H17NS |
| Molecular Weight | 171.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-Octyl isothiocyanate is closely related to a nitrile group, sulfur-containing functionality in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-Octyl isothiocyanate (CAS 69626-80-8), molecular formula C9H17NS and molecular weight 171.30 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C9H17NS, 2-Octyl isothiocyanate contains a nitrile group, sulfur-containing functionality; these features give the compound characteristic molecular-ion distribution patterns in mass spectrometry. The molecular weight of 171.30 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 2-Octyl isothiocyanate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C9H17NS |
| Molecular Weight | 171.30 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1976 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Octyl Standards
Recommended Standards
- 2,6-Dimethyl-1,3-benzothiazole (CAS 2941-71-1)
- 2-Thia-9-azaspiro[5.5]undecane (CAS 937723-33-6)
- 1-Thia-4-azaspiro[5.5]undecane (CAS 4083-56-1)
- 3-(isothiocyanatomethyl)heptane (CAS 21663-56-9)
- tert-Butyl 6-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate (CAS 2096341-89-6)
- 6-(4-Chloropyridin-2-yl)-2-(pyridin-2-yl)pyrimidin-4(1H)-one (CAS 688753-55-1)
- Nuarimol (CAS 63284-71-9)
- 3-(4-Methoxyphenyl)-1H-pyrrole (CAS 63761-14-8)
- 1,2,2,4-Tetramethyl-1,2-dihydroquinolin-6-amine (CAS 652992-10-4)
- 6-Bromopyrido[3,4-d]pyrimidin-4-amine (CAS 1594729-65-3)
- 2-(1,8-Naphthyridin-2-yl)ethanol (CAS 886362-87-4)
- 7-Chloro-2,3-dihydro-1H-indene-1-carboxylic acid (CAS 66041-27-8)
- tert-Butyl 6,7-dihydrothiazolo[4,5-c]pyridine-5(4H)-carboxylate (CAS 726207-27-8)
- Semaglutide impurity 235 (CAS CATO-C4X-2226235)
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