|
|
| | Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine Basic information |
| Product Name: | Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine | | Synonyms: | 1,3,5-Tris(2-hydroxyethyl)hexahydro-1,3,5-triazine;1,3,5-triazine-1,3,5(2h,4h,6h)-triethanol;HEXAHYDRO-1,3,5-TRIS(2-HYDROXYETHYL)-TRIAZINE;HEXAHYDRO-1,3,5-TRIS(HYDROXYETHYL)-S-TRIAZINE;HEXAHYDRO-1,3,5-TRIS(HYDROXYETHYL)TRIAZINE;2,2’,2’’-(hexahydro-1,3,5-triazine-1,3,5-triyl)triethanol;Triethanol = Hexahydro - 1,3,5, - Tri - Hydroxyethyl - S-Triazine;s-Triazine-1,3,5-triethanol | | CAS: | 4719-04-4 | | MF: | C9H21N3O3 | | MW: | 219.28 | | EINECS: | 225-208-0 | | Product Categories: | Heterocycles;Intermediates;Pharmaceutical Raw Materials | | Mol File: | 4719-04-4.mol |  |
| | Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine Chemical Properties |
| Boiling point | 360.1°C (rough estimate) | | density | 1.1269 (rough estimate) | | vapor pressure | 0Pa at 25℃ | | refractive index | 1.4830 (estimate) | | storage temp. | 2-8°C | | solubility | Ethyl Acetate (Slightly, Sonicated), Water (Slightly) | | form | Oil to Low-Melting Solid | | pka | 14.16±0.10(Predicted) | | color | Off-White to Yellow | | Water Solubility | Soluble (>=1 g/100 mL at 24 ºC) | | InChI | InChI=1S/C9H21N3O3/c13-4-1-10-7-11(2-5-14)9-12(8-10)3-6-15/h13-15H,1-9H2 | | InChIKey | HUHGPYXAVBJSJV-UHFFFAOYSA-N | | SMILES | N1(CCO)CN(CCO)CN(CCO)C1 | | LogP | -2 at 24℃ | | CAS DataBase Reference | 4719-04-4(CAS DataBase Reference) | | EPA Substance Registry System | Hexahydro-1,3,5-tris(2-hydroxyethyl)-s-triazine (4719-04-4) |
| Hazard Codes | Xn | | Risk Statements | 22-43 | | Safety Statements | 24-37 | | RIDADR | 2810 | | HazardClass | 6.1(b) | | PackingGroup | III | | Toxicity | LD50 oral in rat: 763mg/kg |
| | Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine Usage And Synthesis |
| Description |
Grotan BK is a triazine derivative contained in cutting fluids. It is a formaldehyde releaser. Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine is a light-yellow liquid. It is a formaldehyde condensate product that is used as an antimicrobial agent in metal working fluids.
| | Chemical Properties | Light Yellow Solid | | Uses | Hexahydro-l,3,5-tris-(2-hydroxyethyl)triazin is used in organic synthesis; as a bactericide in cooling fluids and various cosmetic products; formaldehyde liberator. | | General Description | Viscous yellow liquid. | | Air & Water Reactions | Water soluble. | | Reactivity Profile | Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine is an amine and an alcohol. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. | | Fire Hazard | Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine is probably combustible. | | Flammability and Explosibility | Not classified | | Contact allergens | Grotan BK is a triazine derivative contained as a bio cide in cutting fluids. It is a formaldehyde releaser.
Dermatitis, delayed-type allergic conjunctivitis, and
asthma were described. | | Synthesis | General procedure for the synthesis of hydroxyethyl hexahydrohomotriazine from formaldehyde and 2-aminoethanol: To 6.1 g (0.1 mol) of 2-aminoethanol was added 3.0 g (0.1 mol as formaldehyde) of a 20 mL methanol solution of paraformaldehyde, and the mixture was stirred for 48 h at room temperature. Upon completion of the reaction, the solvent was removed by rotary evaporator and the residue was distilled under reduced pressure to give 6.3 g (86% yield) of light yellow viscous liquid. The physicochemical properties of the obtained compound (I) were in accordance with the data reported in literature [9]. | | Toxics Screening Level | The initial threshold screening level (ITSL) for 1,3,5-triazine-1,3,5(2H,4H,6H)-triethanol (CAS
# 4719-04-4) is 0.015 μg/m3 with an annual averaging time. | | References | [1] Helvetica Chimica Acta, 2007, vol. 90, # 9, p. 1765 - 1780
[2] Russian Journal of Applied Chemistry, 2015, vol. 88, # 7, p. 1174 - 1177
[3] Zh. Prikl. Khim. (S.-Peterburg, Russ. Fed.), 2015, vol. 88, # 7, p. 1083 - 1086,4
[4] Zhurnal Obshchei Khimii, 1953, vol. 23, p. 1771,1773; engl. Ausg. S. 1869, 1871
[5] Chemische Berichte, 1949, vol. 82, p. 316,326 |
| | Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine Preparation Products And Raw materials |
|