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Name |
Dimethylmorpholine |
EINECS | 205-509-3 |
CAS No. | 141-91-3 | Density | 0.863 g/cm3 |
PSA | 21.26000 | LogP | 0.71200 |
Solubility | Soluble in water, ethanol, acetone, benzene | Melting Point |
-85 °C(lit.) |
Formula | C6H13NO | Boiling Point | 146.599 °C at 760 mmHg |
Molecular Weight | 115.175 | Flash Point | 48.889 °C |
Transport Information | UN 1992 3/PG 3 | Appearance | colourless liquid |
Safety | 16-26-36/37/39-45 | Risk Codes | 10-21-41 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
2,6-Dimethylmorpholine;NSC 60704;2,6-Dimethyl-2,3,5,6-tetrahydro-4H-1,4-oxazine; |
Article Data | 20 |
Conditions | Yield |
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With ammonia; hydrogen at 200℃; under 150015 Torr; Reagent/catalyst; Temperature; | 95% |
Conditions | Yield |
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With ammonium hydroxide at 120℃; | |
With ammonium hydroxide at 120℃; |
Conditions | Yield |
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With sodium hydroxide Erhitzen des Reaktionsprodukts mit H2SO4 auf 180grad; |
Conditions | Yield |
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With sulfuric acid at 170℃; |
Conditions | Yield |
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Reaktion ueber mehrere Stufen; |
Conditions | Yield |
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at 160 - 170℃; |
2,6-dimethyl-N-(2-hydroxypropyl)-morpholine
A
2,6-dimethyl morpholine
Conditions | Yield |
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With nitrogen In water; SiO2 |
Conditions | Yield |
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In water |
Conditions | Yield |
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With ammonia; hydrogen at 180℃; under 150015 Torr; Temperature; Overall yield = 66.3 %; |
Conditions | Yield |
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With Iridium(II)-coordinated mesoporous (4-[5-(4-aminophenyl)-4'-methyl-[1,1'-biphenyl]-3-yl]aniline)-modified Tröger’s base-functionalized polymer at 110℃; for 24h; Catalytic behavior; Reagent/catalyst; Temperature; | A 89 %Chromat. B n/a |
The Dimethylmorpholine, with the CAS registry number 141-91-3, is also known as 2,6-Dimethyl-2,3,5,6-tetrahydro-4H-1,4-oxazine. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Morpholines. Its EINECS number is 205-509-3. This chemical's molecular formula is C6H13NO and molecular weight is 115.17. What's more, its systematic name is 2,6-Dimethylmorpholine. Its classification codes are: (1)Mutation data; (2)Skin / Eye Irritant. This chemical is stable at common pressure and temperature, and it should be sealed and stored. Moreover, it should be protected from strong oxidants and acids. It is used as an intermediate for SBR morpholine and also used in the manufacture of corrosion inhibitors, stabilizer for chlorinated solvents, rubless floor polishes, rubber accelerators, germicides.
Physical properties of Dimethylmorpholine are: (1)ACD/LogP: 0.281; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.69; (4)ACD/LogD (pH 7.4): -1.36; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 21.26 Å2; (13)Index of Refraction: 1.406; (14)Molar Refractivity: 32.816 cm3; (15)Molar Volume: 133.514 cm3; (16)Polarizability: 13.009×10-24cm3; (17)Surface Tension: 24.24 dyne/cm; (18)Density: 0.863 g/cm3; (19)Flash Point: 48.889 °C; (20)Enthalpy of Vaporization: 38.36 kJ/mol; (21)Boiling Point: 146.599 °C at 760 mmHg; (22)Vapour Pressure: 4.6 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-(2-hydroxyl propyl) amine hydrochloride and concentrated sulfuric acid by heating to dehydration, and then add alkali to separate out the product. The end product is got by distillation.
Uses of Dimethylmorpholine: it can be used to produce 2,7-dichloro-4-(2,6-dimethylmorpholino)quinazoline at the temperature of 0 °C. It will need solvent CH2Cl2 with the reaction time of 45 min. The yield is about 74%.
When you are using this chemical, please be cautious about it as the following:
This chemical is flammable, so you should keep it away from sources of ignition - No smoking. It is harmful in contact with skin and has a risk of serious damage to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing and avoid contact with skin and eyes. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: O1C(C)CNCC1C
(2)Std. InChI: InChI=1S/C6H13NO/c1-5-3-7-4-6(2)8-5/h5-7H,3-4H2,1-2H3
(3)Std. InChIKey: HNVIQLPOGUDBSU-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LD50 | skin | 710uL/kg (.71mL/kg) | SKIN AND APPENDAGES (SKIN): PRIMARY IRRITATION: AFTER TOPICAL EXPOSURE | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. |
rat | LC | inhalation | > 4000ppm/4H (4000ppm) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
rat | LD50 | oral | 2830mg/kg (2830mg/kg) | Union Carbide Data Sheet. Vol. 11/13/1961. |