Product Name

  • Name

    TRIS(3-TRIMETHOXYSILYLPROPYL)ISOCYANURATE

  • EINECS 247-465-8
  • CAS No. 26115-70-8
  • Article Data6
  • CAS DataBase
  • Density 1.131 g/cm3
  • Solubility 14-1000000000μg/L at 20℃
  • Melting Point <0°C
  • Formula C21H45N3O12Si3
  • Boiling Point 543.9 °C at 760 mmHg
  • Molecular Weight 615.858
  • Flash Point 282.7 °C
  • Transport Information UN 2810
  • Appearance colorless to dark yellow liquid
  • Safety 26-45
  • Risk Codes 23/25-36/38
  • Molecular Structure Molecular Structure of 26115-70-8 (TRIS(3-TRIMETHOXYSILYLPROPYL)ISOCYANURATE)
  • Hazard Symbols ToxicT
  • Synonyms s-Triazine-2,4,6(1H,3H,5H)-trione,1,3,5-tris[3-(trimethoxysilyl)propyl]- (8CI);1,3,5-Tris(trimethoxysilylpropyl)isocyanurate;1,3,5-Tris[3-(trimethoxysilyl)propyl]isocyanurate;NUC Silicone Y 11597;Silquest Y 11570;Silquest Y 11597;Tris[(trimethoxysilyl)propyl]isocyanurate;Tris[3-(trimethoxysilyl)propyl]isocyanurate;X 12-965;Y 11597;A-Link 597;Degussa 153;
  • PSA 149.07000
  • LogP -0.02370

Synthetic route

N-(3-trimethoxysilylpropyl) O-methyl carbamate
23432-62-4

N-(3-trimethoxysilylpropyl) O-methyl carbamate

A

3-(trimethoxysilyl)propyl isocyanate
15396-00-6

3-(trimethoxysilyl)propyl isocyanate

B

tris-[3-(trimethoxysilyl)propyl]isocyanurate
26115-70-8

tris-[3-(trimethoxysilyl)propyl]isocyanurate

Conditions
ConditionsYield
at 210℃; under 100 - 300 Torr; for 1.65 - 5.65h; Product distribution / selectivity;
3-(trimethoxysilyl)propan-1-amine
13822-56-5

3-(trimethoxysilyl)propan-1-amine

carbonic acid dimethyl ester
616-38-6

carbonic acid dimethyl ester

tris-[3-(trimethoxysilyl)propyl]isocyanurate
26115-70-8

tris-[3-(trimethoxysilyl)propyl]isocyanurate

Conditions
ConditionsYield
Stage #1: 3-(trimethoxysilyl)propan-1-amine; carbonic acid dimethyl ester; sodium methylate at 50℃; for 2h;
Stage #2: With formic acid at 135 - 210℃; under 10 - 760.051 Torr; for 2.16667h; Product distribution / selectivity;
N-(3-trimethoxysilylpropyl) O-methyl carbamate
23432-62-4

N-(3-trimethoxysilylpropyl) O-methyl carbamate

tris-[3-(trimethoxysilyl)propyl]isocyanurate
26115-70-8

tris-[3-(trimethoxysilyl)propyl]isocyanurate

Conditions
ConditionsYield
With formic acid; sodium methylate In methanol at 130 - 214℃; under 10 - 760.051 Torr; for 0.5 - 1.75h; pH=5.6 - 10; Product distribution / selectivity;
sodium acetate In water at 200 - 210℃; under 75 - 300 Torr; for 2h; Product distribution / selectivity;
potassium acetate at 200℃; under 75 - 300 Torr; for 1h; Product distribution / selectivity;
3-(trimethoxysilyl)propyl isocyanate
15396-00-6

3-(trimethoxysilyl)propyl isocyanate

N-(3-trimethoxysilylpropyl) O-methyl carbamate
23432-62-4

N-(3-trimethoxysilylpropyl) O-methyl carbamate

tris-[3-(trimethoxysilyl)propyl]isocyanurate
26115-70-8

tris-[3-(trimethoxysilyl)propyl]isocyanurate

Conditions
ConditionsYield
With formic acid; sodium methylate at 210℃; under 90 - 210 Torr; for 1h; Product distribution / selectivity;
trimethoxysilane
2487-90-3

trimethoxysilane

triallyl isocyanurate
1025-15-6

triallyl isocyanurate

A

C18H35N3O9Si2

C18H35N3O9Si2

B

C18H37N3O9Si2

C18H37N3O9Si2

C

C21H45N3O12Si3

C21H45N3O12Si3

D

tris-[3-(trimethoxysilyl)propyl]isocyanurate
26115-70-8

tris-[3-(trimethoxysilyl)propyl]isocyanurate

Conditions
ConditionsYield
With platinum(0)-1,3-divinyl-1,1,3,3-tetramethyldisiloxane complex; acetic acid In toluene at 53 - 55℃; for 2.5h; Temperature; Reagent/catalyst;
...Expand
triethanolamine
102-71-6

triethanolamine

tris-[3-(trimethoxysilyl)propyl]isocyanurate
26115-70-8

tris-[3-(trimethoxysilyl)propyl]isocyanurate

tris[3-(silatranyl)propyl]isocyanurate

tris[3-(silatranyl)propyl]isocyanurate

Conditions
ConditionsYield
With potassium hydroxide In benzene for 2h; Heating;95%
triisopropanolamine
122-20-3

triisopropanolamine

tris-[3-(trimethoxysilyl)propyl]isocyanurate
26115-70-8

tris-[3-(trimethoxysilyl)propyl]isocyanurate

tris[3-(3,7,10-trimethylsilatranyl)propyl]isocyanurate

tris[3-(3,7,10-trimethylsilatranyl)propyl]isocyanurate

Conditions
ConditionsYield
With potassium hydroxide In benzene for 2h; Heating;85%
bis(2-hydroxyethyl)(2-hydroxybutyl)amine
4435-57-8

bis(2-hydroxyethyl)(2-hydroxybutyl)amine

tris-[3-(trimethoxysilyl)propyl]isocyanurate
26115-70-8

tris-[3-(trimethoxysilyl)propyl]isocyanurate

tris[3-(3-ethylsilatranyl)propyl]isocyanurate

tris[3-(3-ethylsilatranyl)propyl]isocyanurate

Conditions
ConditionsYield
With potassium hydroxide In toluene for 5h; Heating;83.8%
3-(trimethoxysilyl)-1-propanethiol
4420-74-0

3-(trimethoxysilyl)-1-propanethiol

tris-[3-(trimethoxysilyl)propyl]isocyanurate
26115-70-8

tris-[3-(trimethoxysilyl)propyl]isocyanurate

C24H51N3O24S3Si6

C24H51N3O24S3Si6

Conditions
ConditionsYield
With hydrogenchloride; water; dihydrogen peroxide at 40 - 100℃; for 26h;

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[3-(trimethoxysilyl)propyl]- Specification

This chemical is called 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(3-(trimethoxysilyl)propyl)-, and its CAS registry number is 26115-70-8. With the molecular formula of C21H45N3O12Si3, its product categories are Organosilicon; Self Assembly & Contact Printing; Self-Assembly Materials; Silanes Organometallic Reagents; Trialkoxysilanes. In addition, this chemical should be sealed in the cool and dry plcace.

Other characteristics of the 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(3-(trimethoxysilyl)propyl)- can be summarised as followings: (1)ACD/LogP: -1.58; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -1.58; (4)ACD/LogD (pH 7.4): -1.58; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.29; (8)ACD/KOC (pH 7.4): 3.29; (9)#H bond acceptors: 15; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 21; (12)Polar Surface Area: 144 Å2; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 150.35 cm3; (15)Molar Volume: 544.4 cm3; (16)Polarizability: 59.6×10-24cm3; (17)Surface Tension: 32.4 dyne/cm; (18)Density: 1.131 g/cm3; (19)Flash Point: 282.7 °C; (20)Enthalpy of Vaporization: 82.24 kJ/mol; (21)Boiling Point: 543.9 °C at 760 mmHg; (22)Vapour Pressure: 6.87E-12 mmHg at 25°C.

Production method of this chemical: The 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(3-(trimethoxysilyl)propyl)- could be obtained by the reactants of 1,3,5-tris-(3-trimethoxysilanyl-propyl)-[1,3,5]triazinane-2,4,6-trione and N-(2-Hydroxy-butyl)-diethanolamin. This reaction needs the reagent of KOH, and the solvent of toluene. The yield is 83.8 %. In addition, this reaction should be taken for 5 hours. The other condition is heating.

When you are using this chemical, please be cautious about it as the following: This chemical is toxic by inhalation and if swallowed. It's irritating to eyes and skin. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C1N(C(=O)N(C(=O)N1CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC
2.InChI: InChI=1/C21H45N3O12Si3/c1-28-37(29-2,30-3)16-10-13-22-19(25)23(14-11-17-38(31-4,32-5)33-6)21(27)24(20(22)26)15-12-18-39(34-7,35-8)36-9/h10-18H2,1-9H3
3.InChIKey: QWOVEJBDMKHZQK-UHFFFAOYAR

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD skin > 16mL/kg (16mL/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" National Technical Information Service. Vol. OTS0541033,
rat LD50 oral 1460uL/kg (1.46mL/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION

BLOOD: HEMORRHAGE		 National Technical Information Service. Vol. OTS0541033,

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