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| CAS No.: | 100-74-3 |
|---|---|
| Name: | N-Ethylmorpholine |
| Molecular Structure: | |
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|
|
| Formula: | C6H13NO |
| Molecular Weight: | 115.175 |
| Synonyms: | 4-Ethylmorpholine;Dabco NEM;Ethylmorpholine;Jeffcat NEM;KL 22;Kaolizer 22;NEM;NSC 6110;Toyocat NEM; |
| EINECS: | 202-885-0 |
| Density: | 0.913 g/cm3 |
| Melting Point: | -63 °C |
| Boiling Point: | 139.7 °C at 760 mmHg |
| Flash Point: | 27.8 °C |
| Solubility: | miscible with water |
| Appearance: | colourless liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 10-21/22-34 |
| Safety: | 26-36/37/39-45-16 |
| Transport Information: | UN 2920 |
| PSA: | 12.47000 |
| LogP: | 0.27640 |
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Consensus Reports
Reported in EPA TSCA Inventory.
Standards and Recommendations
OSHA PEL: TWA 5 ppm (skin)
ACGIH TLV: TWA 5 ppm (skin)
Specification
The IUPAC name of this chemical is 4-ethylmorpholine. With the CAS registry number 100-74-3, it is also named as Morpholine, 4-ethyl-. The product's categories are protein sequencing; protein structural analysis; reagents for protein sequencing; building blocks; heterocyclic building blocks; morpholines. It is colorless liquid with a strong ammonia-like odor. N-Ethylmorpholine can react vigorously with oxidizing materials. To fight fire, use alcohol foam, foam, CO2, dry chemical. When heated to decomposition this chemical emits toxic fumes of NOx. It is obtained by the reaction of morpholine and dibromoethane.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -0.32; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 9.32; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.435; (13)Molar Refractivity: 32.94 cm3; (14)Molar Volume: 126.1 cm3; (15)Polarizability: 13.06×10-24 cm3; (16)Surface Tension: 26.9 dyne/cm; (17)Enthalpy of Vaporization: 37.69 kJ/mol; (18)Vapour Pressure: 6.36 mmHg at 25°C; (19)Exact Mass: 115.099714; (20)MonoIsotopic Mass: 115.099714; (21)Topological Polar Surface Area: 12.5; (22)Heavy Atom Count: 8.
Uses of N-Ethylmorpholine: It is used to produce preservatives, emulsifiers and coating. This product is soluble in water and alcohol, so it also can be used as intermediate of solvent, catalysts, dye, pharmaceuticals and surfactant. Meantime, it is also used in organic synthesis.
When you are using this chemical, please be cautious about it as the following:
It is flammable, so people should keep it away from sources of ignition. And it is harmful in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
1. SMILES:O1CCN(CC)CC1
2. InChI:InChI=1/C6H13NO/c1-2-7-3-5-8-6-4-7/h2-6H2,1H3
3. InChIKey:HVCNXQOWACZAFN-UHFFFAOYAU
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mammal (species unspecified) | LD50 | oral | 1200mg/kg (1200mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974. | |
| mouse | LC50 | inhalation | 18000mg/m3/2H (18000mg/m3) | Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 15, Pg. 116, 1979. | |
| mouse | LD50 | intravenous | 180mg/kg (180mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04778, | |
| mouse | LD50 | oral | 1200mg/kg (1200mg/kg) | Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 15, Pg. 116, 1979. | |
| rat | LCLo | inhalation | 2000ppm/4H (2000ppm) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
| rat | LD50 | oral | 1780mg/kg (1780mg/kg) | "Documentation of the Threshold Limit Values for Substances in Workroom Air," Supplements. For publisher information, see 85INA8.Vol. 4, Pg. 190, 1982. |