2,2'-dihydroxy-4-methoxybenzophenone (131-53-3)

The IUPAC name of Dioxybenzone is (2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone. With the CAS registry number 131-53-3, it is also named as Benzophenone-8; 2,2'-Dihydroxy-4-methoxybenzophenone; Methanone, (2-hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)-; Cyasorb UV 24 Light Absorber; Spectra-sorb UV 24; Advastab 47. The product's categories are industrial/fine chemicals, aromatic benzophenones & derivatives (substituted), benzophenones (for high-performance polymer research), functional materials, reagent for high-performance polymer research and ketone.

The Dioxybenzone is yellow powder which is insoluble in water, but moderately soluble in ethanol and isopropanol. It is stable and incompatible with strong oxidizing agents. This product is UV absorbers, and applied to PVC, ABS resin, acrylic resin, polyurethane, melamine resin, cellulose resin, and many other plastics. This chemical can be obtained by the following method. By the condensation of resorcinol and salicylaldehyde chloride, and then methylation of dimethyl sulfate .

This product is probably combustible. When heated to decomposition it emits acrid smoke and irritating vapors. It is irritating to eyes, respiratory system and skin. 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. 

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.93 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 3.92 ; (4)ACD/LogD (pH 7.4): 3.31 ; (5)ACD/BCF (pH 5.5): 554.77 ; (6)ACD/BCF (pH 7.4): 135.6 ; (7)ACD/KOC (pH 5.5): 3176.36 ; (8)ACD/KOC (pH 7.4): 776.39 ; (9)#H bond acceptors: 4 ; (10)#H bond donors: 2 ; (11)#Freely Rotating Bonds: 5 ; (12)Index of Refraction: 1.623 ; (13)Molar Refractivity: 66.48 cm³ ; (14)Molar Volume: 188.4 cm³ ; (15)Polarizability: 26.35×10^-24 cm³ ; (16)Surface Tension: 55.2 dyne/cm ; (17)Enthalpy of Vaporization: 64.68 kJ/mol ; (18)Vapour Pressure: 3.73E-06 mmHg at 25°C ; (19)Rotatable Bond Count: 3 ; (20)Tautomer Count: 24 ; (21)Exact Mass: 244.073559 ; (22)MonoIsotopic Mass: 244.073559 ; (23)Topological Polar Surface Area: 66.8 ; (24)Heavy Atom Count: 18.

People can use the following data to convert to the molecule structure. SMILES: O=C(c1ccc(OC)cc1O)c2ccccc2O; InChI: InChI=1/C14H12O4/c1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h2-8,15-16H,1H3. Dioxybenzone has many suppliers, such as Changzhou Sunlight Pharmaceutical Co., Ltd..

The following is the toxicity data which has been tested.

The IUPAC name of Dioxybenzone is (2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone. With the CAS registry number 131-53-3, it is also named as Benzophenone-8; 2,2'-Dihydroxy-4-methoxybenzophenone; Methanone, (2-hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)-; Cyasorb UV 24 Light Absorber; Spectra-sorb UV 24; Advastab 47. The product's categories are industrial/fine chemicals, aromatic benzophenones & derivatives (substituted), benzophenones (for high-performance polymer research), functional materials, reagent for high-performance polymer research and ketone.

The Dioxybenzone is yellow powder which is insoluble in water, but moderately soluble in ethanol and isopropanol. It is stable and incompatible with strong oxidizing agents. This product is UV absorbers, and applied to PVC, ABS resin, acrylic resin, polyurethane, melamine resin, cellulose resin, and many other plastics. This chemical can be obtained by the following method. By the condensation of resorcinol and salicylaldehyde chloride, and then methylation of dimethyl sulfate .

This product is probably combustible. When heated to decomposition it emits acrid smoke and irritating vapors. It is irritating to eyes, respiratory system and skin. 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. 

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.93 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 3.92 ; (4)ACD/LogD (pH 7.4): 3.31 ; (5)ACD/BCF (pH 5.5): 554.77 ; (6)ACD/BCF (pH 7.4): 135.6 ; (7)ACD/KOC (pH 5.5): 3176.36 ; (8)ACD/KOC (pH 7.4): 776.39 ; (9)#H bond acceptors: 4 ; (10)#H bond donors: 2 ; (11)#Freely Rotating Bonds: 5 ; (12)Index of Refraction: 1.623 ; (13)Molar Refractivity: 66.48 cm³ ; (14)Molar Volume: 188.4 cm³ ; (15)Polarizability: 26.35×10^-24 cm³ ; (16)Surface Tension: 55.2 dyne/cm ; (17)Enthalpy of Vaporization: 64.68 kJ/mol ; (18)Vapour Pressure: 3.73E-06 mmHg at 25°C ; (19)Rotatable Bond Count: 3 ; (20)Tautomer Count: 24 ; (21)Exact Mass: 244.073559 ; (22)MonoIsotopic Mass: 244.073559 ; (23)Topological Polar Surface Area: 66.8 ; (24)Heavy Atom Count: 18.

People can use the following data to convert to the molecule structure. SMILES: O=C(c1ccc(OC)cc1O)c2ccccc2O; InChI: InChI=1/C14H12O4/c1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h2-8,15-16H,1H3. Dioxybenzone has many suppliers, such as Changzhou Sunlight Pharmaceutical Co., Ltd..

The following is the toxicity data which has been tested.