2-Amino-p-cresol

Reported in EPA TSCA Inventory.

The 2-Amino-4-methylphenol, with the CAS registry number 95-84-1, is also known as 6-Hydroxy-m-toluidine. It belongs to the product categories of Intermediates of Dyes and Pigments; Aromatic Hydrocarbons (Substituted) & Derivatives; Amines. Its EINECS registry number is 202-457-3. This chemical's molecular formula is C₇H₉NO and molecular weight is 123.15. What's more, its IUPAC name is the same with its product name.

Physical properties about 2-Amino-4-methylphenol are: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.81; (4)ACD/LogD (pH 7.4): 0.9; (5)ACD/BCF (pH 5.5): 2.29; (6)ACD/BCF (pH 7.4): 2.83; (7)ACD/KOC (pH 5.5): 59.13; (8)ACD/KOC (pH 7.4): 73.15; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 37.19 cm³; (15)Molar Volume: 106.4 cm³; (16)Surface Tension: 51.9 dyne/cm; (17)Density: 1.157 g/cm³; (18)Flash Point: 98.6 °C; (19)Enthalpy of Vaporization: 49.56 kJ/mol; (20)Boiling Point: 239.4 °C at 760 mmHg; (21)Vapour Pressure: 0.026 mmHg at 25 °C.

Preparation of 2-Amino-4-methylphenol: this chemical can be prepared by 4-Methyl-[1,2]benzoquinone 2-oxime; copper(II) salt. This reaction needs reagent 1,2-diaminoethane and solvent toluene at room temperature. The reaction time is 2 hours. The yield is 71 %.

Uses of 2-Amino-4-methylphenol: (1) it is used as dye intermediates and used to produce polyester fiber fluorescent whitening agent DT, plastic fluorescent whitening agent PF; (2) it is used to produce other chemicals. For example, it can react with Acetic acid anhydride to get 4-Acetoxy-3-acetylamino-toluene. The reaction occurs with reagent sodium acetate at temperature of 80 °C. The yield is 95 %.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc1ccc(cc1N)C
(2) InChI: InChI=1S/C7H9NO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3
(3) InChIKey: ZMXYNJXDULEQCK-UHFFFAOYSA-N