1,3,5-Tris(2-hydroxyethyl)cyanuric acid
Pharmaceutical Materials 2025-03-02
CAS Number: 839-90-7
Molecular Formula: C9H15N3O6
Molecular Weight: 261.23 g/mol
Appearance: White crystalline powder Usage: Mainly used in manufacturing heat-resistant enamelled wires, polyurethane plastics, water-soluble baking paints, unsaturated polyester resins, pesticides, plasticizers, dyes, pharmaceuticals, and as an intermediate in organic synthesis.
| Category | Details |
|---|---|
| Chemical Name | 1.3.5-Tris(2-hydroxyethyl)cyanuric acid |
| Synonyms | 1.3.5-Tris(2-hydroxyethyl)isocyanurate, THECA, 1.3.5-Tri(2-hydroxyethyl)-s-triazine-2.4.6-trione |
| CAS Number | 839-90-7 |
| Molecular Formula | C9H15N3O6 |
| Molecular Weight | 261.232 g/mol |
| Appearance | White crystalline powder |
| Melting Point | 136-140°C |
| Boiling Point | 526.7°C (at 760 mmHg) |
| Density | 1.5 g/cm³ |
| Flash Point | 272.3°C |
| Solubility | Soluble in water and hot dilute alcohol; insoluble in ethanol, acetone, carbon tetrachloride, and petroleum ether |
| Chemical Properties | Reactive compound with multiple hydroxyl and nitrogen groups; forms stable salts with acids and bases; exhibits good thermal stability |
| Applications | – Used in the formulation of polyester-based heat-resistant insulating paints – Applied in coatings, pharmaceuticals, pesticides, and as an intermediate in organic synthesis – Potential use as a flame retardant due to its nitrogen and hydroxyl content |
| Safety | Non-hazardous under normal conditions; however, it should be handled with caution to avoid skin and eye contact. Store in a cool, dry place, away from sources of ignition. |
Names and Identifiers
| Name | 1,3,5-Tris(2-hydroxyethyl)cyanuric acid |
| Synonyms | THEIC TRIS(HYDROXYETHYL) ISOCYANURATE tris(2-hydroxyethyl) isoyanurate tris(2-hydroxyethyl) isocyanurate 1,3,5-TRIS(2-HYDROXYETHYL)CYANURIC ACID 1,3,5-Tris(2-hydroxyethyl)cyanuric acid tris(2-hydroxyethyl)-1,3,5-triazinetrione 1,3,5-TRIS(2-HYDROXYETHYL)ISOCYANURIC ACID ISOCYANURIC ACID TRIS(2-HYDROXYETHYL) ESTER 1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione 1,3,5-TRIS(2-HYDROXYETHYL)-HEXAHYDRO-S-TRIAZINE-2,4,6-TRIONE 1,3,5-TRIS(2-HYDROXYETHYL) 1,3,5-TRIAZINE-2,4,6(1H,3H,6H)TRIONE 1,3,5-TRIS(2-HYDROXYETHYL)-1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE |
| CAS | 839-90-7 |
| EINECS | 212-660-9 |
| InChI | InChI=1/C9H16N3O6/c13-4-1-7-8(16)10(2-5-14)12(18)11(3-6-15)9(7)17/h7,13-15H,1-6H2 |
839-90-7 – Physico-chemical Properties
| Molecular Formula | C9H15N3O6 |
| Molar Mass | 261.23 |
| Density | 1.498±0.06 g/cm3(Predicted) |
| Melting Point | 136-140°C(lit.) |
| Boling Point | 526.7±45.0 °C(Predicted) |
| Flash Point | 241℃ |
| Water Solubility | 572g/L at 20℃ |
| Solubility | 1150g/l |
| Vapor Presure | 0.001Pa at 50℃ |
| Appearance | White crystal |
| Color | White to Off-White |
| pKa | 14.03±0.10(Predicted) |
| PH | 7 (100g/l, H2O, 20℃) |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Incompatible with strong oxidizing agents. |
| MDL | MFCD00003549 |
| Physical and Chemical Properties | White crystalline powder. |
| Use | Mainly used in the preparation of polyester heat-resistant insulating paint, can also be used in coatings, pharmaceuticals, pesticides and organic synthesis intermediates |
839-90-7 – Risk and Safety
| Hazard Symbols | Xi – Irritant |
| Risk Codes | 36/37/38 – Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 – In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 – Wear suitable gloves and eye/face protection |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29336980 |
| Toxicity | LD50 orally in Rabbit: > 10000 mg/kg |
839-90-7 – Upstream Downstream Industry
| Raw Materials | N,N-Dimethylformamide Ethylene Oxide Methyl alcohol Cyanuric acid |
Reference Information
| LogP | -1.63 at 23℃ |
| Use | 1,3, 5-tris (2-hydroxyethyl) cyanuric acid is a building block that can be used in the polymer industry. It also shows some flame retardant properties. mainly used in the preparation of polyester heat-resistant insulating paint, can also be used in coatings, pharmaceuticals, pesticides and organic synthesis intermediates, etc. |
| spontaneous combustion temperature | 430°C |
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