CAS No.105-59-9,Ethanol,2,2'-(methylimino)bis- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	105-59-9
Name:	Ethanol,2,2'-(methylimino)bis-
Article Data:	33
Cas Database

Formula:	C₅H₁₃NO₂
Molecular Weight:	119.164
Synonyms:	Ethanol,2,2'-(methylimino)di- (6CI,8CI);2,2'-(Methylimino)bis[ethanol];2,2'-(Methylimino)diethanol;2-[(2-Hydroxyethyl)(methyl)amino]ethanol;AminoAlcohol MDA;Diethanolmethylamine;Gas Spec CS 2000;Jefftreat MS 100;MDEA;MDEA (diol);Methylbis(2-hydroxyethyl)amine;Methyldiethanolamine;Methyliminodiethanol;N,N-Bis(2-hydroxyethyl)methylamine;N,N-Di(2-hydroxyethyl)-N-methylamine;N,N-Di(2-hydroxyethyl)methylamine;N,N-Di-(2-hydroxyethyl)-methanamine;N-(2-Hydroxyethyl)-N-methylethanolamine;N-Methyl-N,N-Bis(2-hydroxyethyl)amine;N-Methyl-N,N-diethanolamine;N-Methylbis(2-hydroxyethyl)amine;N-Methyliminodiethanol;NSC 11690;NSC 49131;NSC 51500;
EINECS:	203-312-7
Density:	1.051 g/cm³
Melting Point:	-21 °C
Boiling Point:	247 °C at 760 mmHg
Flash Point:	126.7 °C
Solubility:	miscible with water
Appearance:	colourless viscous liquid
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	24
Transport Information:	UN 2735
PSA:	43.70000
LogP:	-1.09720

Synthetic route

: 50-00-0
formaldehyd

: 111-42-2
2,2'-iminobis[ethanol]

: 105-59-9
N-Methyldiethanolamine

Conditions

Conditions	Yield
With hydrogen In methanol at 125℃; under 10501.1 Torr; for 4h; Autoclave;	92%
und Hydrierung des Reaktionspodukts an Raney-Nickel bei 85grad/175 at;

: 75-21-8
oxirane

: 74-89-5
methylamine

A: 109-83-1
(2-hydroxyethyl)(methyl)amine

B: 105-59-9
N-Methyldiethanolamine

C: 68998-54-9
2,2'-((1-hydroxypropan-2-yl)azanediyl)bis(ethan-1-ol)

Conditions

Conditions	Yield
water at 62.84 - 71.84℃; under 7500.75 Torr; for 0.2h; Heating / reflux;	A 16.7% B 83.3% C n/a
at 66.84 - 76.84℃; under 9000.9 Torr; for 0.116667h; Heating / reflux;	A 63.5% B 36.4% C 0.02%
water at 61.54 - 63.34℃; under 7500.75 Torr; for 0.2h; Heating / reflux;
at 66.34℃; under 9000.9 Torr; for 0.116667h; Heating / reflux;

...Expand

: 50-00-0
formaldehyd

formaldehyde cyano hydride: formaldehyde cyano hydride

A: 108-01-0
2-(N,N-dimethylamino)ethanol

B: 105-59-9
N-Methyldiethanolamine

Conditions

Conditions	Yield
With methanol; nickel at 95 - 100℃; under 514855 Torr;

...Expand

: 102-71-6
triethanolamine

A: 108-01-0
2-(N,N-dimethylamino)ethanol

B: 105-59-9
N-Methyldiethanolamine

Conditions

Conditions	Yield
With hydrogen; palladium/alumina at 290℃; for 5h; Product distribution; various temp., time, catalysts;
With hydrogen; Pt/Al2O3 at 320℃; for 5h;

: 109-83-1
(2-hydroxyethyl)(methyl)amine

: 111-44-4
3-oxa-1,5-dichloropentane

A: 105-59-9
N-Methyldiethanolamine

B: 115188-50-6
3,9-dimethyl-6-oxa-3,9-diaza-undecane-1,11-diol

Conditions

Conditions	Yield
With sodium carbonate In toluene for 48h; Heating;	A 14% B 37%

...Expand

: 109-83-1
(2-hydroxyethyl)(methyl)amine

: 107-07-3
2-chloro-ethanol

: 105-59-9
N-Methyldiethanolamine

Conditions

Conditions	Yield
With water at 120℃;

: 55-86-7
mechlorethamine hydrochloride

A: 105-59-9
N-Methyldiethanolamine

B: 111068-26-9
bis-(2-hydroxy-ethyl)-{2-[(2-hydroxy-ethyl)-methyl-amino]-ethyl}-methyl-ammonium; chloride

Conditions

Conditions	Yield
With sodium hydroxide; sodium carbonate In water-d2 for 24h; Title compound not separated from byproducts;

: 65796-77-2
N-methyldiethanolamine phenylboronic ester

A: 105-59-9
N-Methyldiethanolamine

B: 98-80-6
phenylboronic acid

Conditions

Conditions	Yield
With water In 1,4-dioxane; water Kinetics; byproducts: (HOCH2CH2)2NMe; hydrolysis in water/dioxane mixts. of different concns.;

: 75-21-8
oxirane

: 74-89-5
methylamine

: 105-59-9
N-Methyldiethanolamine

: 20073-50-1
2-(oxazolidin-3-yl)ethanol

: 105-59-9
N-Methyldiethanolamine

Conditions

Conditions	Yield
With formic acid; water
With formic acid; water

Raw Materials

75-58-1

102-71-6

111-44-4

75-21-8

50-00-0

67-56-1

107-07-3

74-89-5

Downstream Products

55-86-7

109-02-4

595-90-4

74-89-5

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The CAS registry number of N-Methyldiethanolamine is 105-59-9. Its EINECS registry number is 203-312-7. The IUPAC name is 2-[2-hydroxyethyl(methyl)amino]ethanol. In addition, the molecular formula is C₅H₁₃NO₂. What's more, it is a colourless viscous liquid and soluble in water. It is mainly used as emulsifier and acid gas absorbent, pH control agents, polyurethane foam catalyst. Besides, it is also used as an intermediate for hydrochloric acid chlormethine which is one of anticancer drugs.

Physical properties about this chemical are: (1)ACD/LogP: -0.72; (2)ACD/LogD (pH 5.5): -3.49; (3)ACD/LogD (pH 7.4): -1.89; (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: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 21.7 Å²; (12)Index of Refraction: 1.476; (13)Molar Refractivity: 32 cm³; (14)Molar Volume: 113.3 cm³; (15)Polarizability: 12.68 ×10^-24cm³; (16)Surface Tension: 43 dyne/cm; (17)Density: 1.051 g/cm³; (18)Flash Point: 126.7 °C; (19)Enthalpy of Vaporization: 56.25 kJ/mol; (20)Boiling Point: 247 °C at 760 mmHg; (21)Vapour Pressure: 0.00431 mmHg at 25°C.

Preparation of N-Methyldiethanolamine: it can be prepared by methanal and diethanolamine. Add methanoic acid into the reactor and heat it to boiling at first. Then add methanal and diethanolamine with stirring in 1 hour. The reaction temperature should be maintained at 90-98 °C. In addition, the reaction should reflux for 4 hours. At last, you should collect 120-130 °C(0.53 kPa) fractions through vacuum distillation.

N-Methyldiethanolamine can be prepared by methanal and diethanolamine.

Uses of N-Methyldiethanolamine: it can be used to get 4-methyl-morpholin-2-one. This reaction will need reagents RuH₂(PPh₃)₄ and acetone, and solvent toluene. The reaction time is 3 hours at reaction temperature of 180 °C. The yield is about 95%.

N-Methyldiethanolamine can be used to get 4-methyl-morpholin-2-one

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes. So during using it, you should avoid contact with skin.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCN(C)CCO
(2)InChI: InChI=1/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3
(3)InChIKey: CRVGTESFCCXCTH-UHFFFAOYAC

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	500mg/kg (500mg/kg)		National Technical Information Service. Vol. AD277-689,
rabbit	LD50	skin	5990uL/kg (5.99mL/kg)		AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat	LC	inhalation	> 6500ug/m³/6H (6.5mg/m³)		Journal of Toxicology, Cutaneous and Ocular Toxicology. Vol. 17, Pg. 179, 1990.
rat	LD50	oral	1945mg/kg (1945mg/kg)	SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE BEHAVIORAL: ATAXIA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Veterinary and Human Toxicology. Vol. 38, Pg. 422, 1996.