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CAS No.: | 122-20-3 |
---|---|
Name: | Triisopropanolamine |
Article Data: | 10 |
Molecular Structure: | |
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 |
methyloxirane
triisopropanolamine
Conditions | Yield |
---|---|
With ammonia; water at 100℃; under 44130.5 - 58840.6 Torr; | |
With ammonia; water | |
With ammonia at 125℃; | |
With ammonia; water |
1,3,7,10-tetramethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane
A
triisopropanolamine
B
methylsilanetriol
Conditions | Yield |
---|---|
With disodium hydrogenphosphate; potassium dihydrogenphosphate at 50℃; Rate constant; Mechanism; hydrolysis in neutral medium; |
Conditions | Yield |
---|---|
With sodium methylate In methanol |
methyloxirane
triisopropanolamine
Conditions | Yield |
---|---|
With ammonia; water at 100℃; under 44130.5 - 58840.6 Torr; | |
With ammonia; water | |
With ammonia at 125℃; | |
With ammonia; water |
1,3,7,10-tetramethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane
A
triisopropanolamine
B
methylsilanetriol
Conditions | Yield |
---|---|
With disodium hydrogenphosphate; potassium dihydrogenphosphate at 50℃; Rate constant; Mechanism; hydrolysis in neutral medium; |
Conditions | Yield |
---|---|
With sodium methylate In methanol |
methyloxirane
A
triisopropanolamine
B
3-amino-2-propanol
C
diisopropanolamine
Conditions | Yield |
---|---|
With ammonia at 60℃; Temperature; Reagent/catalyst; |
Conditions | Yield |
---|---|
In dichloromethane | 100% |
Conditions | Yield |
---|---|
With potassium hydroxide at 90℃; under 100 - 350 Torr; for 4h; | 98.2% |
triisopropanolamine
triethoxy-(3,3,3-trifluoro-propyl)-silane
3,7,10-trimethyl-1-(3,3,3-trifluoro-propyl)-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane
Conditions | Yield |
---|---|
With sodium ethanolate In ethanol Heating; | 98% |
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%.
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. |