2,6-Dimethylphenol (576-26-1)

The IUPAC name of 2,6-Xylenol is 2,6-dimethylphenol. With the CAS registry number 576-26-1, it is also named as 1-Hydroxy-2,6-dimethylbenzene. The product's categories are aromatic phenols; phenoles and thiophenoles. It is colorless to off-white crystalline solid with a sweet tarry odor. And this chemical is soluble in alcohol, ether, chloroform, benzene and alkali solution, very slightly soluble in cold water. In addition, it is stable, very flammable, and incompatible with oxidizing agents, acid chlorides, acid anhydrides, steel, copper, copper alloys, bases, acid chlorides. Furthermore, 2,6-Xylenol should be stored away from extreme heat and away from strong oxidizing agents. 

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.4; (5)ACD/BCF (pH 5.5): 39.41; (6)ACD/BCF (pH 7.4): 39.39; (7)ACD/KOC (pH 5.5): 482.78; (8)ACD/KOC (pH 7.4): 482.51; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.54; (13)Molar Refractivity: 37.78 cm³; (14)Molar Volume: 120.4 cm³; (15)Polarizability: 14.97×10^-24 cm³; (16)Surface Tension: 37.2 dyne/cm; (17)Enthalpy of Vaporization: 45.51 kJ/mol; (18)Vapour Pressure: 0.221 mmHg at 25°C; (19)Tautomer Count: 2; (20)Exact Mass: 122.073165; (21)MonoIsotopic Mass: 122.073165; (22)Topological Polar Surface Area: 20.2; (23)Heavy Atom Count: 9; (24)Complexity: 80.6.

Preparation 2,6-Xylenol: Using phenol or orthocresol as raw material, then they have a gas phase catalytic reaction with methanol. Through distillation and purification, we can obtain the product and its purity is over 99%.

Uses of 2,6-Xylenol: It is an intermediate for the manufacture of polyphenylene oxide and modified phenolic resins and phosphate esters. And it is also used in the production of hydraulic fluids, in halogenation and aminolysis reactions.

When you are using this chemical, please be cautious about it as the following:
It is toxic in contact with skin and if swallowed. And it is also toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 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: c1(c(cccc1C)C)O;
2. InChI: InChI=1/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3.

The following are the toxicity data which has been tested.

The IUPAC name of 2,6-Xylenol is 2,6-dimethylphenol. With the CAS registry number 576-26-1, it is also named as 1-Hydroxy-2,6-dimethylbenzene. The product's categories are aromatic phenols; phenoles and thiophenoles. It is colorless to off-white crystalline solid with a sweet tarry odor. And this chemical is soluble in alcohol, ether, chloroform, benzene and alkali solution, very slightly soluble in cold water. In addition, it is stable, very flammable, and incompatible with oxidizing agents, acid chlorides, acid anhydrides, steel, copper, copper alloys, bases, acid chlorides. Furthermore, 2,6-Xylenol should be stored away from extreme heat and away from strong oxidizing agents. 

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.4; (5)ACD/BCF (pH 5.5): 39.41; (6)ACD/BCF (pH 7.4): 39.39; (7)ACD/KOC (pH 5.5): 482.78; (8)ACD/KOC (pH 7.4): 482.51; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.54; (13)Molar Refractivity: 37.78 cm³; (14)Molar Volume: 120.4 cm³; (15)Polarizability: 14.97×10^-24 cm³; (16)Surface Tension: 37.2 dyne/cm; (17)Enthalpy of Vaporization: 45.51 kJ/mol; (18)Vapour Pressure: 0.221 mmHg at 25°C; (19)Tautomer Count: 2; (20)Exact Mass: 122.073165; (21)MonoIsotopic Mass: 122.073165; (22)Topological Polar Surface Area: 20.2; (23)Heavy Atom Count: 9; (24)Complexity: 80.6.

Preparation 2,6-Xylenol: Using phenol or orthocresol as raw material, then they have a gas phase catalytic reaction with methanol. Through distillation and purification, we can obtain the product and its purity is over 99%.

Uses of 2,6-Xylenol: It is an intermediate for the manufacture of polyphenylene oxide and modified phenolic resins and phosphate esters. And it is also used in the production of hydraulic fluids, in halogenation and aminolysis reactions.

When you are using this chemical, please be cautious about it as the following:
It is toxic in contact with skin and if swallowed. And it is also toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 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: c1(c(cccc1C)C)O;
2. InChI: InChI=1/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3.

The following are the toxicity data which has been tested.