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Diisopropanolamine

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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 Molecular Structure of 110-97-4 (Diisopropanolamine) Hazard Symbols IrritantXi
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

Diisopropanolamine Synthetic route

1586805-15-3

C14H21NO2

A

98-85-1, 13323-81-4

1-Phenylethanol

B

1586805-23-3

1-(2-hydroxypropyl)-4-methyl-2-phenylpyrrole

C

110-97-4

diisopropanolamine

Conditions
ConditionsYield
With potassium hydroxide Reflux;A n/a
B 33%
C n/a
75-56-9, 16033-71-9

methyloxirane

110-97-4

diisopropanolamine

Conditions
ConditionsYield
With ammonia
92505-34-5

1-(2-imino-5-methyl-oxazolidin-3-yl)-propan-2-ol

110-97-4

diisopropanolamine

Conditions
ConditionsYield
With potassium hydroxide In methanol

C7H14NO4(1-)

A

124-38-9

carbon dioxide

B

110-97-4

diisopropanolamine

Conditions
ConditionsYield
In water at 34.4 - 100℃; Thermodynamic data; Equilibrium constant; ΔH,ΔG, ΔS;
75-56-9, 16033-71-9

methyloxirane

A

110-97-4

diisopropanolamine

B

2-hydroxy-propylamine and tris-<2-hydroxy-propyl>-amine

2-hydroxy-propylamine and tris-<2-hydroxy-propyl>-amine

Conditions
ConditionsYield
With ammonia; water
With ammonia; water
3375-84-6

5-methyl-N-(2-hydroxypropyl)-oxazolidin-2-one

110-97-4

diisopropanolamine

Conditions
ConditionsYield
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;
83733-36-2

4,8-dimethyl-2-phenyl-[1,3,6,2]dioxazaborocane

A

110-97-4

diisopropanolamine

B

98-80-6

phenylboronic acid

Conditions
ConditionsYield
With water In 1,4-dioxane; water Kinetics; byproducts: (HOCHMeCH2)2NH; hydrolysis in water/dioxane mixts. of different concns.;
75-56-9, 16033-71-9

methyloxirane

A

78-96-6, 1674-56-2

3-amino-2-propanol

B

110-97-4

diisopropanolamine

Conditions
ConditionsYield
With ammonia at 41℃; Temperature; Reagent/catalyst;
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;
110-97-4

diisopropanolamine

polyparaformaldehyde (degree of polymerization 200)

polyparaformaldehyde (degree of polymerization 200)

4402-30-6

N-methyldiisopropanolamine

Conditions
ConditionsYield
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%

Diisopropanolamine Consensus Reports

Reported in EPA TSCA Inventory.

Diisopropanolamine Specification

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.

Diisopropanolamine 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

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.

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