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| CAS No.: | 105-59-9 |
|---|---|
| Name: | Diethanolmethylamine |
| Molecular Structure: | |
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| 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
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| Risk Codes: | 36 |
| Safety: | 24 |
| Transport Information: | UN 2735 |
| PSA: | 43.70000 |
| LogP: | -1.09720 |
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| 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 | 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; |
| Conditions | Yield |
|---|---|
| With methanol; nickel at 95 - 100℃; under 514855 Torr; |
| 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 | Yield |
|---|---|
| With sodium carbonate In toluene for 48h; Heating; | A 14% B 37% |
| 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 | 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 | Yield |
|---|---|
| With water In 1,4-dioxane; water Kinetics; byproducts: (HOCH2CH2)2NMe; hydrolysis in water/dioxane mixts. of different concns.; |
- 20073-50-1
2-(oxazolidin-3-yl)ethanol
- 105-59-9
N-Methyldiethanolamine
| Conditions | Yield |
|---|---|
| With formic acid; water | |
| With formic acid; water |
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Consensus Reports
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.
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%.
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. |