CAS No.110-97-4,Diisopropanolamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	110-97-4
Name:	Diisopropanolamine
Article Data:	19

Formula:	C₆H₁₅NO₂
Molecular Weight:	133.191
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;
EINECS:	203-820-9
Density:	1.007 g/cm³
Melting Point:	42-45°C(lit.)
Boiling Point:	254.4 °C at 760 mmHg
Flash Point:	126.7 °C
Solubility:	870 G/L (20 ºC)
Appearance:	clear colorless liquid after melting
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26
PSA:	52.49000
LogP:	-0.27150

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

Conditions	Yield
With potassium hydroxide Reflux;	A n/a B 33% C n/a

...Expand

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

: 110-97-4
diisopropanolamine

Conditions

Conditions	Yield
With ammonia

: 92505-34-5
1-(2-imino-5-methyl-oxazolidin-3-yl)-propan-2-ol

: 110-97-4
diisopropanolamine

Conditions

Conditions	Yield
With potassium hydroxide In methanol

: C7H14NO4(1-)

A: 124-38-9
carbon dioxide

B: 110-97-4
diisopropanolamine

Conditions

Conditions	Yield
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

Conditions	Yield
With ammonia; water
With ammonia; water

: 3375-84-6
5-methyl-N-(2-hydroxypropyl)-oxazolidin-2-one

: 110-97-4
diisopropanolamine

Conditions

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;

: 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

Conditions	Yield
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

Conditions	Yield
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

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

...Expand

: 110-97-4
diisopropanolamine

polyparaformaldehyde (degree of polymerization 200): polyparaformaldehyde (degree of polymerization 200)

: 4402-30-6
N-methyldiisopropanolamine

Conditions

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%

Raw Materials

3375-84-6

75-56-9

Downstream Products

21655-48-1

141-91-3

2815-34-1

33161-83-0

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Consensus Reports

Reported in EPA TSCA Inventory.

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.