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CAS No.: | 3077-12-1 |
---|---|
Name: | 2,2'-(P-TOLYLIMINO)DIETHANOL |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C11H17NO2 |
Molecular Weight: | 195.261 |
Synonyms: | Ethanol,2,2'-(p-tolylimino)di- (6CI,7CI,8CI);2,2'-(p-Tolylimino)diethanol;Diethylol-p-toluidine;N,N-Bis(2-hydroxyethyl)-4-methylaniline;N,N-Bis(2-hydroxyethyl)-4-toluidine;N,N-Bis(2-hydroxyethyl)-p-toludine;N,N-Bis(2-hydroxyethyl)-p-toluidine;N,N-Bis(b-hydroxyethyl)-p-toluidine;N,N-Di(b-hydroxyethyl)-p-toluidine;N,N-Diethanol-p-methylphenylamine;N,N-Diethanol-p-toluidine;N-(4-Methylphenyl)diethanolamine;N-(p-Methylphenyl)-N,N-diethanolamine;N-(p-Methylphenyl)diethanolamine;N-p-Tolyldiethanolamine;NSC 103354;PT 2HE;Plexilith 492; |
EINECS: | 221-359-1 |
Density: | 1.137 g/cm3 |
Melting Point: | 49-53 °C(lit.) |
Boiling Point: | 339 °C at 760 mmHg |
Flash Point: | 208.9 °C |
Solubility: | 19.8g/L at 20℃ |
Appearance: | colorless to pale yellow solid |
Hazard Symbols: | Xi, Xn |
Risk Codes: | 36/37/38-52/53-41-37/38-22 |
Safety: | 26-36-61-39 |
PSA: | 43.70000 |
LogP: | 0.78600 |
[1,3]-dioxolan-2-one
p-toluidine
A
2-[(4-methylphenyl)amino]-ethanol
B
N,N-bis-(2-hydroxyethyl)-P-toluidine
Conditions | Yield |
---|---|
With Na-Y zeolite In Triethylene glycol dimethyl ether for 1.5h; Heating; | A 86% B 9 % Chromat. |
With tri-i-butyl(methyl)phosphonium tosylate at 150℃; for 18h; Ionic liquid; Neat (no solvent); | A n/a B 70% |
oxirane
p-toluidine
A
2-[(4-methylphenyl)amino]-ethanol
B
N,N-bis-(2-hydroxyethyl)-P-toluidine
Conditions | Yield |
---|---|
man trennt die Basen durch Destillation; |
oxirane
p-toluidine
A
2-[(4-methylphenyl)amino]-ethanol
B
N,N-bis-(2-hydroxyethyl)-P-toluidine
C
1,4-bis(4-methylphenyl)piperazine
Conditions | Yield |
---|---|
at 25℃; anschliessend man destilliert das Reaktionsprodukt; |
Conditions | Yield |
---|---|
With water; calcium carbonate |
oxirane
p-toluidine
A
2-[(4-methylphenyl)amino]-ethanol
C
N,N-bis-(2-hydroxyethyl)-P-toluidine
Conditions | Yield |
---|---|
With 1-amino-3-methylbenzene at 120℃; for 15h; |
Conditions | Yield |
---|---|
With sodium methylate at 120 - 140℃; under 1050.11 - 1882.69 Torr; for 15h; Product distribution / selectivity; | |
With sodium methylate; 1-amino-3-methylbenzene at 120℃; under 1050.11 - 1882.69 Torr; for 15h; Product distribution / selectivity; | |
With sodium hydroxide at 120℃; under 1050.11 - 1882.69 Torr; for 15h; Product distribution / selectivity; |
N,N-bis-(2-hydroxyethyl)-P-toluidine
(dimethylamino)dimethylarsine
Conditions | Yield |
---|---|
In diethyl ether Heating; | 95% |
Bis(dimethylamino)methylarsan
N,N-bis-(2-hydroxyethyl)-P-toluidine
Conditions | Yield |
---|---|
In diethyl ether Heating; | 90% |
Conditions | Yield |
---|---|
In diethyl ether Heating; | 90% |
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The N,N-Dihydroxyethyl-p-toluidine is an organic compound with the formula C11H17NO2. The IUPAC name of this chemical is 2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol. With the CAS registry number 3077-12-1, it is also named as 2,2'-[(4-Methylphenyl)imino]diethanol. Besides, it should be stored in a closed cool and dry place. It is used as dye intermediates, pharmaceutical intermediates and unsaturated resin accelerator.
Physical properties about N,N-Dihydroxyethyl-p-toluidine are: (1)ACD/LogP: 1.27 ; (2)ACD/LogD (pH 5.5): 0.74; (3)ACD/LogD (pH 7.4): 1.26; (4)ACD/BCF (pH 5.5): 1.61; (5)ACD/BCF (pH 7.4): 5.28; (6)ACD/KOC (pH 5.5): 34.53; (7)ACD/KOC (pH 7.4): 113.6; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 21.7 Å2; (12)Index of Refraction: 1.587; (13)Molar Refractivity: 57.72 cm3; (14)Molar Volume: 171.7 cm3; (15)Polarizability: 22.88×10-24cm3; (16)Surface Tension: 51.4 dyne/cm; (17)Density: 1.137 g/cm3; (18)Flash Point: 208.9 °C; (19)Enthalpy of Vaporization: 61.47 kJ/mol; (20)Boiling Point: 339 °C at 760 mmHg; (21)Vapour Pressure: 3.68E-05 mmHg at 25°C.
Uses of N,N-Dihydroxyethyl-p-toluidine: it can be used to produce 2-methyl-6-p-tolyl-[1,3,6,2]dioxazarsocane bt heating. It will need solvent diethyl ether. The yield is about 90%.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and risk of serious damage to eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin and harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. When you are using it, wear suitable protective clothing and eye/face protection and avoid release to the environment. Refer to special instructions/safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: OCCN(c1ccc(cc1)C)CCO
(2)InChI: InChI=1/C11H17NO2/c1-10-2-4-11(5-3-10)12(6-8-13)7-9-14/h2-5,13-14H,6-9H2,1H3
(3)InChIKey: JUVSRZCUMWZBFK-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C11H17NO2/c1-10-2-4-11(5-3-10)12(6-8-13)7-9-14/h2-5,13-14H,6-9H2,1H3
(5)Std. InChIKey: JUVSRZCUMWZBFK-UHFFFAOYSA-N