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122-20-3

Basic Information
CAS No.: 122-20-3
Name: Triisopropanolamine
Article Data: 10
Molecular Structure:
Molecular Structure of 122-20-3 (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: IrritantXi
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With sodium methylate In methanol
75-56-9, 16033-71-9

methyloxirane

122-20-3

triisopropanolamine

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With ammonia at 60℃; Temperature; Reagent/catalyst;
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
ConditionsYield
In dichloromethane100%
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
ConditionsYield
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
ConditionsYield
With sodium ethanolate In ethanol Heating;98%
Raw Materials
75-56-9
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    122-20-3

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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.