Name: Triisopropanolamine
SKU: 122-20-3

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Basic Information

Molecular Structure:
CAS No.:	122-20-3
Name:	Triisopropanolamine

Formula:	C₉H₂₁NO₃
Molecular Weight:	191.271
Synonyms:	2-Propanol,1,1',1''-nitrilotri- (6CI,8CI);1,1',1''-Nitrilotri-2-propanol;1,1',1''-Nitrilotris(2-propanol);CBA (aminoalcohol);NSC 4010;TIPA;Tri-2-propanolamine;Tri-iso-propanolamine;Tris(2-hydroxy-1-propyl)amine;Tris(2-hydroxypropyl)amine;Tris(2-propanol)amine;Triisopropanolamine;
EINECS:	204-528-4
Density:	1.0 g/cm³
Melting Point:	48-52 °C(lit.)
Boiling Point:	296.4 °C at 760 mmHg
Flash Point:	167 °C
Solubility:	Soluble in water, ethanol, ethyl ether
Appearance:	white to slightly yellow powder
Hazard Symbols:	Xi
Risk Codes:	36-52/53
Safety:	26-61
Transport Information:	UN 3259 8/PG 2
PSA:	63.93000
LogP:	-0.56920

Synthetic route

: 75-56-9, 16033-71-9
methyloxirane

: 122-20-3
triisopropanolamine

Conditions

Conditions	Yield
With ammonia; water at 100℃; under 44130.5 - 58840.6 Torr;
With ammonia; water
With ammonia at 125℃;
With ammonia; water

: 64235-17-2, 64235-28-5, 71229-51-1
1,3,7,10-tetramethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane

A: 122-20-3
triisopropanolamine

B: 2445-53-6
methylsilanetriol

Conditions

Conditions	Yield
With disodium hydrogenphosphate; potassium dihydrogenphosphate at 50℃; Rate constant; Mechanism; hydrolysis in neutral medium;

: 7780-04-3
1-amino-2-propanol hydrochloride

: 122-20-3
triisopropanolamine

Conditions

Conditions	Yield
With sodium methylate In methanol

: 75-56-9, 16033-71-9
methyloxirane

: 122-20-3
triisopropanolamine

Conditions

Conditions	Yield
With ammonia; water at 100℃; under 44130.5 - 58840.6 Torr;
With ammonia; water
With ammonia at 125℃;
With ammonia; water

: 64235-17-2, 64235-28-5, 71229-51-1
1,3,7,10-tetramethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane

A: 122-20-3
triisopropanolamine

B: 2445-53-6
methylsilanetriol

Conditions

Conditions	Yield
With disodium hydrogenphosphate; potassium dihydrogenphosphate at 50℃; Rate constant; Mechanism; hydrolysis in neutral medium;

: 7780-04-3
1-amino-2-propanol hydrochloride

: 122-20-3
triisopropanolamine

Conditions

Conditions	Yield
With sodium methylate In methanol

: 75-56-9, 16033-71-9
methyloxirane

A: 122-20-3
triisopropanolamine

B: 78-96-6, 1674-56-2
3-amino-2-propanol

C: 110-97-4
diisopropanolamine

Conditions

Conditions	Yield
With ammonia at 60℃; Temperature; Reagent/catalyst;

...Expand

: 122-20-3
triisopropanolamine

: 75-79-6
Methyltrichlorosilane

: 1,3,7,10-Tetramethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane; hydrochloride

Conditions

Conditions	Yield
In dichloromethane	100%

: 122-20-3
triisopropanolamine

: 5089-70-3
(3-chloropropyl)triethoxysilane

: 1-(3-chloropropyl)-3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane

Conditions

Conditions	Yield
With potassium hydroxide at 90℃; under 100 - 350 Torr; for 4h;	98.2%

: 122-20-3
triisopropanolamine

: 681-97-0
triethoxy-(3,3,3-trifluoro-propyl)-silane

: 63453-67-8
3,7,10-trimethyl-1-(3,3,3-trifluoro-propyl)-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane

Conditions

Conditions	Yield
With sodium ethanolate In ethanol Heating;	98%

Raw Materials

75-56-9

Downstream Products

624-92-0

67-63-0

101-00-8

110-81-6

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Specification

The Triisopropanolamine, with the CAS registry number 122-20-3, is also known as Tris(2-hydroxy-1-propyl)amine. It belongs to the product categories of Intermediates of Dyes and Pigments; Organics. Its EINECS number is 204-528-4. This chemical's molecular formula is C₉H₂₁NO₃ and molecular weight is 191.27. What's more, its systematic name is 1,1',1''-nitrilotripropan-2-ol. Its classification code is Skin / Eye Irritant. It is used as a pharmaceutical raw materials and a photographic developer solvent. It is also used as a cosmetics emulsifier. It can be prepared by epoxy propane and ammonia.

Physical properties of Triisopropanolamine are: (1)ACD/LogP: -0.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.46; (4)ACD/LogD (pH 7.4): -0.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 4.55; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 30.93 Å²; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 51.94 cm³; (15)Molar Volume: 177.9 cm³; (16)Polarizability: 20.59×10^-24cm³; (17)Surface Tension: 43.9 dyne/cm; (18)Density: 1.074 g/cm³; (19)Flash Point: 167 °C; (20)Enthalpy of Vaporization: 62.2 kJ/mol; (21)Boiling Point: 296.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000148 mmHg at 25°C.

Uses of Triisopropanolamine: it can be used to produce 1-allyl-3,7,10-trimethylsilatrane at the temperature of 80 - 85 °C. It will need reagent NaOH with the reaction time of 12 hours. The yield is about 63%.

2-Propanol,1,1',1''-nitrilotris- can be used to produce 1-allyl-3,7,10-trimethylsilatrane at the temperature of 80 - 85 °C

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes. It is harmful to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You must avoid releasing it to the environment just refering to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(CN(CC(O)C)CC(O)C)C
(2)Std. InChI: InChI=1S/C9H21NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h7-9,11-13H,4-6H2,1-3H3
(3)Std. InChIKey: SLINHMUFWFWBMU-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	oral	1580mg/kg (1580mg/kg)	KIDNEY, URETER, AND BLADDER: OTHER CHANGES GASTROINTESTINAL: OTHER CHANGES BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 259, 1941.
mammal (species unspecified)	LD50	skin	> 1gm/kg (1000mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(7), Pg. 46, 1986.
mouse	LD50	oral	2520mg/kg (2520mg/kg)	BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(3), Pg. 79, 1980.
rabbit	LD50	oral	11gm/kg (11000mg/kg)	BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(3), Pg. 79, 1980.
rabbit	LDLo	skin	10mL/kg (10mL/kg)		Union Carbide Data Sheet. Vol. 4/21/1967,
rat	LD50	oral	4730mg/kg (4730mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(7), Pg. 46, 1986.
rat	LD50	oral	4730mg/kg (4730mg/kg)	GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(7), Pg. 46, 1986.

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Specification