Product Name

  • Name

    Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine

  • EINECS 225-208-0
  • CAS No. 4719-04-4
  • Article Data14
  • CAS DataBase
  • Density 1.186 g/cm3
  • Solubility Soluble (>=1 g/100 mL at 24 °C) in water
  • Melting Point
  • Formula C9H21N3O3
  • Boiling Point 399.9 °C at 760 mmHg
  • Molecular Weight 219.284
  • Flash Point 220.1 °C
  • Transport Information UN 2810
  • Appearance Viscous yellow liquid
  • Safety 24-37
  • Risk Codes 22-43
  • Molecular Structure Molecular Structure of 4719-04-4 (Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine)
  • Hazard Symbols HarmfulXn
  • Synonyms s-Triazine-1,3,5(2H,4H,6H)-triethanol(8CI);1,3,5-Tris(2-hydroxyethyl)-1,3,5-triazacyclohexane;1,3,5-Tris(2-hydroxyethyl)hexahydro-1,3,5-triazine;1,3,5-Tris(2-hydroxyethyl)hexahydro-s-triazine;Actane;Acticide GR;Bactraclean;Busan 1060;Busan 1506;Cobate C;Grotan BK;Kalpur TE;N,N',N''-Tris(2-hydroxyethyl)hexahydro-s-triazine;N,N',N''-Tris(b-hydroxyethyl)hexahydro-s-triazine;NSC 516387;NipacideBK;Protectol HT;Surcide D;Triadine 3;
  • PSA 70.41000
  • LogP -2.43090

Synthetic route

formaldehyd
50-00-0

formaldehyd

ethanolamine
141-43-5

ethanolamine

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane
4719-04-4

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

Conditions
ConditionsYield
In methanol at 20℃; for 16h;100%
In methanol for 48h;86%
With water
In ethanol Cyclization;
at 50 - 80℃; for 1h;92 g
5-(2-hydroxyethyl)hexahydro-1,3,5-dithiazine
88891-55-8

5-(2-hydroxyethyl)hexahydro-1,3,5-dithiazine

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane
4719-04-4

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

Conditions
ConditionsYield
at 100℃; under 0.12 Torr;85%
1,3-oxazolidine
504-76-7

1,3-oxazolidine

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane
4719-04-4

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

Conditions
ConditionsYield
at 25 - 30℃; unter Selbsterwaermung;
1,3,5-Trioxan
110-88-3

1,3,5-Trioxan

ethanolamine
141-43-5

ethanolamine

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane
4719-04-4

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

Conditions
ConditionsYield
In methanol at 20℃;
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane
4719-04-4

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

C9H22N3O6P

C9H22N3O6P

Conditions
ConditionsYield
With phosphorus pentoxide at 0 - 80℃; for 1h;96%
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane
4719-04-4

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

(E)-benzil monooxime
574-15-2

(E)-benzil monooxime

1-(2-hydroxyethyl)-4,5-diphenyl-1H-imidazole 3-oxide

1-(2-hydroxyethyl)-4,5-diphenyl-1H-imidazole 3-oxide

Conditions
ConditionsYield
In ethanol for 3h; Heating;89%
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane
4719-04-4

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

2,3-Butanedione monoxime
57-71-6, 17019-25-9, 110828-81-4

2,3-Butanedione monoxime

4,5-dimethyl-1H-imidazole-1-ethanol 3-oxide

4,5-dimethyl-1H-imidazole-1-ethanol 3-oxide

Conditions
ConditionsYield
In ethanol for 3h; Heating;88%
1-hydroximino-1-phenylacetone
29024-92-8

1-hydroximino-1-phenylacetone

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane
4719-04-4

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

5-methyl-4-phenyl-1H-imidazole-1-ethanol 3-oxide

5-methyl-4-phenyl-1H-imidazole-1-ethanol 3-oxide

Conditions
ConditionsYield
In ethanol for 3h; Heating;81%
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane
4719-04-4

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

1-(4-fluorophenyl)-2-(2-fluoro-4-pyridyl)ethane-1,2-dione 1-oxime
908382-43-4

1-(4-fluorophenyl)-2-(2-fluoro-4-pyridyl)ethane-1,2-dione 1-oxime

2-[4-(4-Fluorophenyl)-5-(2-fluoro-pyridin-4-yl)-3-oxy-imidazol-1-yl]-ethanol
1009308-69-3

2-[4-(4-Fluorophenyl)-5-(2-fluoro-pyridin-4-yl)-3-oxy-imidazol-1-yl]-ethanol

Conditions
ConditionsYield
In ethanol for 16h; Heating / reflux;80%
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane
4719-04-4

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

ethyl acetoacetate
141-97-9

ethyl acetoacetate

diethyl 3-acetyl-1-(2-hydroxyethyl)-6-methyl-1,2,3,4-tetrahydropyridine-3,5-dicarboxylate

diethyl 3-acetyl-1-(2-hydroxyethyl)-6-methyl-1,2,3,4-tetrahydropyridine-3,5-dicarboxylate

Conditions
ConditionsYield
In methanol at 65℃; for 5h; Reflux;80%
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane
4719-04-4

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

N-{4-[2-(4-fluorophenyl)-2-hydroxyliminoacetyl]pyridin-2-yl}acetamide
452056-82-5

N-{4-[2-(4-fluorophenyl)-2-hydroxyliminoacetyl]pyridin-2-yl}acetamide

N-{4-[5-(4-fluorophenyl)-1-oxy-3-(2-hydroxyethyl)-3H-imidazol-4-yl]pyridin-2-yl}acetamide
820241-16-5

N-{4-[5-(4-fluorophenyl)-1-oxy-3-(2-hydroxyethyl)-3H-imidazol-4-yl]pyridin-2-yl}acetamide

Conditions
ConditionsYield
In ethanol for 6h; Heating;71%
In ethanol Reflux;
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane
4719-04-4

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

acetic anhydride
108-24-7

acetic anhydride

A

1-acetoxy-2-nitro-2-aza-4-nitroxybutabe
71545-63-6

1-acetoxy-2-nitro-2-aza-4-nitroxybutabe

B

Hexahydro-1,3,5-trinitro-1,3,5-triazine
121-82-4

Hexahydro-1,3,5-trinitro-1,3,5-triazine

C

1-acetoxy-2,4,6-trinitro-2,4,6-triaza-8-nitroxyoctane
76237-14-4

1-acetoxy-2,4,6-trinitro-2,4,6-triaza-8-nitroxyoctane

Conditions
ConditionsYield
With ammonium nitrate; nitric acid In chloroform at 55 - 60℃; for 1h;A 41.3%
B n/a
C 62%
...Expand
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane
4719-04-4

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

A

1-acetoxy-2-nitro-2-aza-4-nitroxybutabe
71545-63-6

1-acetoxy-2-nitro-2-aza-4-nitroxybutabe

B

Hexahydro-1,3,5-trinitro-1,3,5-triazine
121-82-4

Hexahydro-1,3,5-trinitro-1,3,5-triazine

C

1-acetoxy-2,4,6-trinitro-2,4,6-triaza-8-nitroxyoctane
76237-14-4

1-acetoxy-2,4,6-trinitro-2,4,6-triaza-8-nitroxyoctane

Conditions
ConditionsYield
With ammonium nitrate; nitric acid In chloroform; acetic anhydride at 55 - 60℃; for 1h;A 41.3%
B n/a
C 62%
...Expand
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane
4719-04-4

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

(E)-2-(hydroxyimino)-1-phenylpropan-1-one
17019-26-0

(E)-2-(hydroxyimino)-1-phenylpropan-1-one

4-methyl-5-phenyl-1H-imidazole-1-ethanol 3-oxide

4-methyl-5-phenyl-1H-imidazole-1-ethanol 3-oxide

Conditions
ConditionsYield
In ethanol for 3h; Heating;55%
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane
4719-04-4

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

chromium(0) hexacarbonyl
199620-14-9, 13007-92-6

chromium(0) hexacarbonyl

Cr(CO)3(C9H21N3O3)
228705-18-8

Cr(CO)3(C9H21N3O3)

Conditions
ConditionsYield
In tetrahydrofuran; acetonitrile refluxing Cr(CO)6 in MeCN for 18 h, filtration, concn., addn. of org. ligand in THF, diln. with Et2O, reflux (16 h); collection, washing (ether), drying (vac.); elem. anal.;54%
formaldehyd
50-00-0

formaldehyd

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane
4719-04-4

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

allyl alcohol
107-18-6

allyl alcohol

3-(2-oxa-4-penten-1-yl)oxazolidine

3-(2-oxa-4-penten-1-yl)oxazolidine

Conditions
ConditionsYield
In benzene Heating;51%
...Expand
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane
4719-04-4

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

acetic anhydride
108-24-7

acetic anhydride

ethanolamine
141-43-5

ethanolamine

A

1-acetoxy-2-nitro-2-aza-4-nitroxybutabe
71545-63-6

1-acetoxy-2-nitro-2-aza-4-nitroxybutabe

B

3,5-dinitro-3,5-diazaheptane-1,7-diyl dinitrate
71545-64-7

3,5-dinitro-3,5-diazaheptane-1,7-diyl dinitrate

Conditions
ConditionsYield
With nitric acid In 1,2-dichloro-ethane at 20 - 25℃; for 1h; Product distribution;A 33%
B 30%
...Expand
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane
4719-04-4

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

1,3-oxazolidine
504-76-7

1,3-oxazolidine

Conditions
ConditionsYield
Destillation unter vermindertem Druck;
Heating;
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane
4719-04-4

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

acetic anhydride
108-24-7

acetic anhydride

1-acetoxy-2-nitro-2-aza-4-nitroxybutabe
71545-63-6

1-acetoxy-2-nitro-2-aza-4-nitroxybutabe

Conditions
ConditionsYield
With nitric acid In chloroform
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane
4719-04-4

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

3,5-dinitro-3,5-diazaheptane-1,7-diyl dinitrate
71545-64-7

3,5-dinitro-3,5-diazaheptane-1,7-diyl dinitrate

Conditions
ConditionsYield
With nitric acid; ethanolamine In 1,2-dichloro-ethane
(Z)-9-octadecenoyl chloride
112-77-6

(Z)-9-octadecenoyl chloride

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane
4719-04-4

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

1,3,5-Triazine-1,3,5(2H, 4H, 6H)triethanol Monooleate
105263-49-8

1,3,5-Triazine-1,3,5(2H, 4H, 6H)triethanol Monooleate

Conditions
ConditionsYield
With potassium carbonate In dichloromethane; water
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane
4719-04-4

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

2-(hydroxyimino)-1,2-diphenylethanone
28478-24-2

2-(hydroxyimino)-1,2-diphenylethanone

1-(2-hydroxyethyl)-4,5-diphenyl-1H-imidazole 3-oxide

1-(2-hydroxyethyl)-4,5-diphenyl-1H-imidazole 3-oxide

Conditions
ConditionsYield
In methanol for 3h; Reflux;
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane
4719-04-4

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

3,5-bis(2-hydroxyethyl)hexahydro-1,3,5-thiadiazine

3,5-bis(2-hydroxyethyl)hexahydro-1,3,5-thiadiazine

Conditions
ConditionsYield
With sodiumsulfide nonahydrate; acetic acid In acetonitrile pH=5.58 - 7.73; Mechanism; Solvent; pH-value; Reagent/catalyst;
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane
4719-04-4

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

A

hexamethylenetetramine
100-97-0

hexamethylenetetramine

B

1-(2-hydroxyethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane

1-(2-hydroxyethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane

Conditions
ConditionsYield
With ammonium hydroxide; sodiumsulfide nonahydrate; acetic acid In water; acetonitrile for 5h; pH=8.45 - 9.43; Mechanism; pH-value;
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane
4719-04-4

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

A

3,5-bis(2-hydroxyethyl)hexahydro-1,3,5-thiadiazine

3,5-bis(2-hydroxyethyl)hexahydro-1,3,5-thiadiazine

B

ethanolamine
141-43-5

ethanolamine

C

5-(2-hydroxyethyl)hexahydro-1,3,5-dithiazine
88891-55-8

5-(2-hydroxyethyl)hexahydro-1,3,5-dithiazine

Conditions
ConditionsYield
With carbon dioxide; hydrogen sulfide for 7.16667h; Time;
...Expand
methanol
67-56-1

methanol

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane
4719-04-4

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

manganese(II) bromide tetrahydrate

manganese(II) bromide tetrahydrate

[MnIII12MnII6(O)6(OH)2(OMe)6(L)4(LH)2Br12]

[MnIII12MnII6(O)6(OH)2(OMe)6(L)4(LH)2Br12]

Conditions
ConditionsYield
for 0.5h;
...Expand

Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine Consensus Reports

It is reported in EPA TSCA Inventory.

Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine Specification

The Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine, with the CAS registry number 4719-04-4, is also known as 1,3,5-Tris(2-hydroxyethyl)hexahydro-1,3,5-triazine;1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol.It belongs to the product categories of Pharmaceutical Raw Materials;Heterocycles;Intermediates. Its EINECS number is 225-208-0.This chemical's molecular formula is C9H21N3O3 and molecular weight is 219.28. What's more,Its systematic name is Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine. It is viscous yellow liquid , water soluble and probably combustible.The hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine is harmful if swallowed .It may cause sensitization by skin contact ,we should avoid contact with skin .When you use it ,you should wear suitable gloves.

Physical properties about Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine are: (1)ACD/LogP: -1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.56; (4)ACD/LogD (pH 7.4): -1.28; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 2.50; (8)ACD/KOC (pH 7.4): 4.80; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.53; (13)Molar Refractivity: 57.119 cm3; (14)Molar Volume: 184.876 cm3; (15)Surface Tension: 49.7280006408691 dyne/cm; (16)Density: 1.186 g/cm3; (17)Flash Point: 220.109 °C; (18)Enthalpy of Vaporization: 75.212 kJ/mol; (19)Boiling Point: 399.888 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

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.

You can still convert the following datas into molecular structure:
(1)SMILES:OCCN1CN(CN(C1)CCO)CCO;
(2)Std. InChI:InChI=1S/C9H21N3O3/c13-4-1-10-7-11(2-5-14)9-12(8-10)3-6-15/h13-15H,1-9H2;
(3)Std. InChIKey:HUHGPYXAVBJSJV-UHFFFAOYSA-N.

The toxicity data of Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 763mg/kg (763mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"		 Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 204, 1992.
rat LD50 skin > 2gm/kg (2000mg/kg)   Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 204, 1992

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