Acetic acid,2-(2,5-dimethylphenoxy)- CAS NO.7356-41-4

This chemical is called Acetic acid, (2,5-dimethylphenoxy)-, and its systematic name is (2,5-dimethylphenoxy)acetic acid. With the molecular formula of C₁₀H₁₂O₃, its molecular weight is 180.20. The CAS registry number of this chemical is 7356-41-4.

Other characteristics of the Acetic acid, (2,5-dimethylphenoxy)- can be summarised as followings: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.01; (4)ACD/LogD (pH 7.4): -1.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.25; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 48.77 cm³; (15)Molar Volume: 157.1 cm³; (16)Polarizability: 19.33×10^-24cm³; (17)Surface Tension: 42.3 dyne/cm; (18)Density: 1.146 g/cm³; (19)Flash Point: 121.1 °C; (20)Enthalpy of Vaporization: 58 kJ/mol; (21)Boiling Point: 308.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00029 mmHg at 25°C.

Uses of this chemical: The Acetic acid, (2,5-dimethylphenoxy)- could react with pyrrolidine, and obtain the 2-(2,5-dimethyl-phenoxy)-1-pyrrolidin-1-yl-ethanone. This reaction needs the reagent of dicyclohexylcarbodiimide (DCC), and the solvent of diethyl ether. The yield is 67 %. In addition, this reaction should be taken for 14 hours at the ambient temperature.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)COc1cc(ccc1C)C
2.InChI: InChI=1/C10H12O3/c1-7-3-4-8(2)9(5-7)13-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
3.InChIKey: RSJMMLSDGNQOEO-UHFFFAOYAS

This chemical is called Acetic acid, (2,5-dimethylphenoxy)-, and its systematic name is (2,5-dimethylphenoxy)acetic acid. With the molecular formula of C₁₀H₁₂O₃, its molecular weight is 180.20. The CAS registry number of this chemical is 7356-41-4.

Other characteristics of the Acetic acid, (2,5-dimethylphenoxy)- can be summarised as followings: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.01; (4)ACD/LogD (pH 7.4): -1.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.25; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 48.77 cm³; (15)Molar Volume: 157.1 cm³; (16)Polarizability: 19.33×10^-24cm³; (17)Surface Tension: 42.3 dyne/cm; (18)Density: 1.146 g/cm³; (19)Flash Point: 121.1 °C; (20)Enthalpy of Vaporization: 58 kJ/mol; (21)Boiling Point: 308.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00029 mmHg at 25°C.

Uses of this chemical: The Acetic acid, (2,5-dimethylphenoxy)- could react with pyrrolidine, and obtain the 2-(2,5-dimethyl-phenoxy)-1-pyrrolidin-1-yl-ethanone. This reaction needs the reagent of dicyclohexylcarbodiimide (DCC), and the solvent of diethyl ether. The yield is 67 %. In addition, this reaction should be taken for 14 hours at the ambient temperature.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)COc1cc(ccc1C)C
2.InChI: InChI=1/C10H12O3/c1-7-3-4-8(2)9(5-7)13-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
3.InChIKey: RSJMMLSDGNQOEO-UHFFFAOYAS