CAS No.131-53-3,2,2'-Dihydroxy-4-methoxybenzophenone Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	131-53-3
Name:	2,2'-Dihydroxy-4-methoxybenzophenone
Article Data:	20

Formula:	C₁₄H₁₂O₄
Molecular Weight:	244.247
Synonyms:	Dioxybenzone;(2-Hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)methanone;2,2'-Dihydroxy-4-methoxybenzophenone;Benzophenone-8;
EINECS:	205-026-8
Density:	1.296 g/cm³
Melting Point:	73-75 °C
Boiling Point:	375 °C at 760 mmHg
Flash Point:	146 °C
Solubility:	insoluble in water, but moderately soluble in ethanol and isopropanol.
Appearance:	yellow powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	66.76000
LogP:	2.33740

Synthetic route

: 33077-87-1
2,2',4-trimethoxybenzophenone

: 131-53-3
(2-hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)-methanone

Conditions

Conditions	Yield
With hydrogen bromide; acetic acid at 110℃; Temperature;	85%

: 131-57-7
Benzophenone-3

: 131-53-3
(2-hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)-methanone

Conditions

Conditions	Yield
With dipotassium peroxodisulfate; palladium diacetate; trifluoroacetic acid; trifluoroacetic anhydride at 25 - 30℃; for 48h; regioselective reaction;	82%
With dipotassium peroxodisulfate; palladium diacetate; trifluoroacetic acid; trifluoroacetic anhydride at 20℃; regioselective reaction;	82%
With dipotassium peroxodisulfate; [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; trifluoroacetic acid; trifluoroacetic anhydride at 80℃; for 20h; Sealed tube; regioselective reaction;	51%

: 13087-18-8
2,2',4-Trihydroxybenzophenone

: 77-78-1
dimethyl sulfate

: 131-53-3
(2-hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)-methanone

Conditions

Conditions	Yield
With sulfolane; sodium carbonate; zinc(II) chloride In toluene at 45℃; for 2h; Solvent;	74.43%

: 673-22-3
2-Hydroxy-4-methoxybenzaldehyde

: 90-02-8
salicylaldehyde

A: 131-54-4
bis(2-hydroxy-4-methoxyphenyl)-methanone

B: 835-11-0
2,2'-dihydroxybenzophenone

C: 131-53-3
(2-hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)-methanone

Conditions

Conditions	Yield
With dicarbonyl(acetylacotonato)rhodium(I); copper(II) acetate monohydrate; sodium carbonate In N,N-dimethyl-formamide at 100℃; for 16h; Schlenk technique; Inert atmosphere;	A 30% B 41% C 27%

...Expand

: 33077-87-1
2,2',4-trimethoxybenzophenone

A: 3722-51-8
3-hydroxyxanthen-9-one

B: 131-53-3
(2-hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)-methanone

Conditions

Conditions	Yield
With pyridine hydrochloride

: 21615-34-9
2-Methoxybenzoyl chloride

: 151-10-0
1,3-Dimethoxybenzene

: 131-53-3
(2-hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)-methanone

Conditions

Conditions	Yield
With aluminium trichloride; chlorobenzene

: 150-19-6
O-methylresorcine

: 69-72-7
salicylic acid

: 131-53-3
(2-hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)-methanone

: 21615-34-9
2-Methoxybenzoyl chloride

: 131-53-3
(2-hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)-methanone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: pyridine hydrochloride View Scheme

: 151-10-0
1,3-Dimethoxybenzene

: 131-53-3
(2-hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)-methanone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: pyridine hydrochloride View Scheme

: 611-94-9
4-Methoxybenzophenone

: 131-53-3
(2-hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)-methanone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: palladium diacetate; dipotassium peroxodisulfate / 4 h / 50 °C 2: silica gel / hexane; dichloromethane View Scheme

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

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.

1.	mmo-sat 12,500 µg/L	ENMUDM Environmental Mutagenesis. 4 (1982),340.
2.	mma-sat 3 µg/plate	ENMUDM Environmental Mutagenesis. 8 (Suppl 7)(1986),1.
3.	mma-mus:lyms 32 µg/plate	JACTDZ Journal of the American College of Toxicology. 2 (5)(1983),35.