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100-74-3

Basic Information
CAS No.: 100-74-3
Name: N-Ethylmorpholine
Article Data: 58
Molecular Structure:
Molecular Structure of 100-74-3 (N-Ethylmorpholine)
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: CorrosiveC
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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    Product Name: N-ethylmorpholine Molecular Formula: C6H13NO Molecular Weight: 115 CAS RN: 100-74-3 Overseas Product Code: NEM Properties:Appearance: colorless transparent liquid, density(20℃): 0.916, Moisture(%): ≤0.5, b.p.: (20℃): 138°

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    CAS Number:100-74-3 Molecular Formula:C6H13NO Density:0.905 Melting Point:-63 oC Boiling Point:139 oC Flash Point:27 oC Solubility:miscible …Appearance:colourless liquid

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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.