Dectaflur
CAS: 7333-84-8
Category: Pharmaceutical Intermediates
| Purity | Reagent Grade ≥95%, Standard Grade ≥98%, High-Purity Grade ≥99% |
| Molecular Formula | C18H38FN |
| Molecular Weight | 287.50 |
| Appearance | White to off-white crystalline powder or waxy solid |
| Packaging | 5 mg/glass vial, 10 mg/glass vial, 25 mg/glass vial, 50 mg/glass vial, 100 mg/glass vial, 250 mg/glass vial, 1 g/glass vial, 5 g/glass vial, 25 g/HDPE bottle, or 1 kg/aluminum foil bag |
| Testing Indicators | Appearance — Visual inspection (white to off-white crystalline powder or waxy solid); Purity — HPLC-UV or GC-FID (≥95–99%, C18 column for HPLC or non-polar column for GC); Fluoride content — Potentiometric titration or ion-selective electrode (theoretical: 6.61% w/w F); Related substances — HPLC or GC (impurity profiling including saturated stearamine analogs, trans-oleyl isomers, and oxidation products); Assay — Titrimetric (acid-base titration of amine functionality) or HPLC; Loss on drying — Gravimetric (≤0.5%); Residue on ignition — Gravimetric (≤0.1%); Heavy metals — Colorimetric/ICP-MS (≤20 ppm); Identification — FTIR (characteristic peaks: N–H ~3300–3500 cm⁻¹, C–H aliphatic ~2850–2950 cm⁻¹, C=C cis ~1650 cm⁻¹, C–N ~1100 cm⁻¹, N–H bend ~1600 cm⁻¹, C–F stretch ~1000–1400 cm⁻¹ broad); ¹H NMR (CDCl₃: δ 0.90 ppm triplet terminal CH₃, δ 1.30 ppm broad multiplet CH₂ chain, δ 2.00 ppm multiplet allylic CH₂, δ 2.65 ppm triplet α-CH₂ to NH, δ 5.35 ppm multiplet cis-olefinic CH=CH); ¹³C NMR (CDCl₃: δ 14 ppm terminal CH₃, δ 22–32 ppm CH₂ chain, δ 27 ppm allylic CH₂, δ 42 ppm α-CH₂ to NH, δ 130 ppm cis-olefinic carbons); Mass spectrometry — ESI-MS (m/z 288 [M+H]⁺); Water content — Karl Fischer titration (GB/T 6283/EP 2.5.12); pH — Potentiometry (aqueous suspension, weakly basic due to primary amine, pH ~8–10); Iodine value — Wijs method (determination of unsaturation, theoretical ~88 g I₂/100g); Acid value — Titration (determination of free fatty acid content); Peroxide value — Iodometric titration (determination of oxidative degradation). |
| Storage Notes | Store in a cool, dry, well-ventilated area at 2–8°C. Protect from light, moisture, and air. Keep container tightly sealed. Store powder at -20°C for long-term stability (up to 3 years); at 4°C for short-term storage (days to weeks). Light-sensitive and hygroscopic material; avoid prolonged exposure to light and humid conditions. The compound is a waxy solid at room temperature with a long lipophilic hydrocarbon chain; low-temperature storage prevents softening and degradation. Store away from strong oxidizing agents, strong acids, and incompatible substances. Calcium-containing compounds should be avoided as they form insoluble calcium fluoride and inhibit the action of dectaflur. |
| Lead Time | 10 days |
Dectaflur (INN, also known as oleylamine hydrofluoride, amine fluoride 335, or SK&F-38094) is an organic amine fluoride salt consisting of oleylamine (cis-9-octadecen-1-amine) and hydrofluoric acid. It is a surfactant-like fluoride carrier used primarily in dental care products for the prevention and treatment of dental caries, sensitive teeth, and the refluoridation of damaged tooth enamel. Typically used in combination with olaflur (amine fluoride 297) in the form of gels, toothpastes, and mouthwashes. The amphiphilic molecular structure allows it to form a homogeneous film layer on tooth surfaces, facilitating fluoride incorporation into enamel and conversion of hydroxylapatite to the more robust fluorapatite. Also exhibits antimicrobial properties against cariogenic bacteria. Used as a pharmaceutical intermediate and active ingredient in oral hygiene formulations. ATC code: A01AA03 (in combination products).