N-Ethyl-3-methylaniline

Reported in EPA TSCA Inventory.

N-Ethyl-3-methylaniline is an organic compound with the formula C₉H₁₃N, and its systematic name is the same with the product name. With the CAS registry number 102-27-2, it is also named as 3-Methyl-N-ethylaniline. It belongs to the product categories of Intermediates of Dyes and Pigments; Organic chemical. Its EINECS number is 203-019-4. In addition, the molecular weight is 135.21. This chemical should be sealed and stored in a cool and ventilated place. Moreover, it should be protected from oxides, heat and fire. It should be ensured that the workshop is well ventilated or equipped with exhaust devices. It is used as an intermediate of dye, and it is also used to synthetize organic pigment.

Physical properties of N-Ethyl-3-methylaniline are: (1)ACD/LogP: 2.723; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 2.72; (5)ACD/BCF (pH 5.5): 43.54; (6)ACD/BCF (pH 7.4): 68.61; (7)ACD/KOC (pH 5.5): 454.64; (8)ACD/KOC (pH 7.4): 716.44; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.03 Å²; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 45.32 cm³; (15)Molar Volume: 141.672 cm³; (16)Polarizability: 17.966×10^-24cm³; (17)Surface Tension: 34.6 dyne/cm; (18)Density: 0.954 g/cm³; (19)Flash Point: 89.444 °C; (20)Enthalpy of Vaporization: 46.036 kJ/mol; (21)Boiling Point: 223.87 °C at 760 mmHg; (22)Vapour Pressure: 0.09 mmHg at 25°C.

Preparation of N-Ethyl-3-methylaniline: this chemical can be prepared by 3-methyl-aniline and ethanol by heating. This reaction will need reagent Raney nickel W-2 with the reaction time of 30 min. The yield is about 80%.

Uses of N-Ethyl-3-methylaniline: it can be used to produce ethyl-(1-methyl-2-phenylsulfanyl-vinyl)-m-tolyl-amine at the temperature of 45 °C. It will need reagent K₂CO₃ and solvent tetrahydrofuran with the reaction time of 14 hours. This reaction will also need catalyst HgCl₂. The yield is about 45%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It is toxic by inhalation, in contact with skin and if swallowed. This substance is harmful to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. 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, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible). You must avoid releasing it to the environment, and you need refer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: N(c1cc(ccc1)C)CC
(2)Std. InChI: InChI=1S/C9H13N/c1-3-10-9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3
(3)Std. InChIKey: GUYMMHOQXYZMJQ-UHFFFAOYSA-N

The toxicity data is as follows:  

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	280mg/kg (280mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(1), Pg. 50, 1986.
rat	LD50	oral	580mg/kg (580mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(1), Pg. 50, 1986.