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Name |
Diisopropanolamine |
EINECS | 203-820-9 |
CAS No. | 110-97-4 | Density | 1.007 g/cm3 |
PSA | 52.49000 | LogP | -0.27150 |
Solubility | 870 G/L (20 ºC) | Melting Point |
42-45°C(lit.) |
Formula | C6H15NO2 | Boiling Point | 254.4 °C at 760 mmHg |
Molecular Weight | 133.191 | Flash Point | 126.7 °C |
Transport Information | N/A | Appearance | clear colorless liquid after melting |
Safety | 26 | Risk Codes | 36 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-Propanol,1,1'-iminodi- (6CI,7CI,8CI);1,1'-Iminobis[2-propanol];1,1'-Iminodi-2-propanol;Bis(2-hydroxypropyl)amine;Bis(2-propanol)amine;Di-2-propanolamine;N,N-Bis(2-hydroxypropyl)amine;N,N-Diisopropanolamine;NSC 4963; |
Article Data | 19 |
C14H21NO2
A
1-Phenylethanol
B
1-(2-hydroxypropyl)-4-methyl-2-phenylpyrrole
C
diisopropanolamine
Conditions | Yield |
---|---|
With potassium hydroxide Reflux; | A n/a B 33% C n/a |
methyloxirane
diisopropanolamine
Conditions | Yield |
---|---|
With ammonia |
1-(2-imino-5-methyl-oxazolidin-3-yl)-propan-2-ol
diisopropanolamine
Conditions | Yield |
---|---|
With potassium hydroxide In methanol |
Conditions | Yield |
---|---|
In water at 34.4 - 100℃; Thermodynamic data; Equilibrium constant; ΔH,ΔG, ΔS; |
methyloxirane
A
diisopropanolamine
Conditions | Yield |
---|---|
With ammonia; water | |
With ammonia; water |
Conditions | Yield |
---|---|
With potassium hydroxide In water at 80℃; for 2h; Product distribution / selectivity; | |
With potassium hydroxide In water at 80℃; for 2h; Conversion of starting material; Alkaline aqueous solution; |
4,8-dimethyl-2-phenyl-[1,3,6,2]dioxazaborocane
A
diisopropanolamine
B
phenylboronic acid
Conditions | Yield |
---|---|
With water In 1,4-dioxane; water Kinetics; byproducts: (HOCHMeCH2)2NH; hydrolysis in water/dioxane mixts. of different concns.; |
Conditions | Yield |
---|---|
With ammonia at 41℃; Temperature; Reagent/catalyst; |
methyloxirane
A
triisopropanolamine
B
3-amino-2-propanol
C
diisopropanolamine
Conditions | Yield |
---|---|
With ammonia at 60℃; Temperature; Reagent/catalyst; |
Conditions | Yield |
---|---|
Stage #1: diisopropanolamine; polyparaformaldehyde (degree of polymerization 200) at 85℃; for 3h; Stage #2: With tri-n-propylamine; hydrogen at 45℃; under 11251.1 - 15001.5 Torr; Temperature; Reagent/catalyst; Solvent; | 99.3% |
Reported in EPA TSCA Inventory.
The CAS registry number of Diisopropanolamine is 110-97-4. With the EINECS registry number 203-820-9, its IUPAC name is 1-(2-hydroxypropylamino)propan-2-ol. In addition, the molecular formula is C6H15NO2 and the molecular weight is 133.19. What's more, it is a colorless liquid or white to yellow crystalline solid with an odor of dead fish or ammonia. It can be applied in fiber additives, tanning agents, pesticides, cutting oils, coating and wax products.
Physical properties about this chemical are: (1)ACD/LogP: -0.81; (2)ACD/LogD (pH 5.5): -3.76; (3)ACD/LogD (pH 7.4): -2.39; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 21.7 Å2; (12)Index of Refraction: 1.463; (13)Molar Refractivity: 36.42 cm3; (14)Molar Volume: 132.1 cm3; (15)Polarizability: 14.44 ×10-24cm3; (16)Surface Tension: 37.5 dyne/cm; (17)Density: 1.007 g/cm3; (18)Flash Point: 126.7 °C; (19)Enthalpy of Vaporization: 57.13 kJ/mol; (20)Boiling Point: 254.4 °C at 760 mmHg; (21)Vapour Pressure: 0.00265 mmHg at 25°C.
Preparation of Diisopropanolamine: The epoxypropane reacts with ammonia to give henisopropanolamine. Then this chemical can be prepared by henisopropanolamine and epoxypropane.
Uses of Diisopropanolamine: it can react with ethane-1,2-diol and silicic acid tetramethyl ester to get 7,11-dimethyl-1,4,6,12-tetraoxa-9-aza-5-silaspiro[4,7]-dodecane. The yield is about 50% by heating.
When you are using this chemical, please be cautious about it as the following:
It is irritating to the eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(C)CNCC(O)C
(2)Std. InChI: InChI=1S/C6H15NO2/c1-5(8)3-7-4-6(2)9/h5-9H,3-4H2,1-2H3
(3)Std. InChIKey: LVTYICIALWPMFW-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
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 | intraperitoneal | 96mg/kg (96mg/kg) | AUTONOMIC NERVOUS SYSTEM: BETA ADRENERGIC BLOCKAGE | Ain Shams Medical Journal. Vol. 30, Pg. 23, 1979. |
rat | LD50 | oral | 4765mg/kg (4765mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(7), Pg. 46, 1986. |