ChemicalBook CAS DataBase List 131-57-7

131-57-7

Name	Oxybenzone
CAS	131-57-7
EINECS(EC#)	205-031-5
Molecular Formula	C14H12O3
MDL Number	MFCD00008387
Molecular Weight	228.24
MOL File	131-57-7.mol

Synonyms

2-Benzoyl-5-methoxyphenol 2'-HYDROXY-4'-METHOXY BENZOPHENONE 2-HYDROXY-4-METHOXYBENZOPHENONE 3-BENZOPHENONE 4-methoxy-2-hydroxybenzophenone BENZOPHENONE-3 EUSOLEX(R) 4360 HMB NEO HELIOPAN BB OXYBENZONE PROSORB UV 200 UV-ABSORBER BAYER 325 (2-hydroxy-4-methoxyphenyl)phenyl-methanon (2-Hydroxy-4-methoxyphenyl)phenylmethanone (2-hydroxy-4-methoxyphenyl)phenyl-Methanone 2-hydroxy-4-methoxy-benzophenon 4-Methoxy-2-hydroxybenzophenone butyric acid Advastab 45 advastab45 Anuvex

Chemical Properties

Appearance	white to light yellow crystalline powder
Melting point	62-64 °C(lit.)
Boiling point	150-160 °C5 mm Hg(lit.)
density	1,3 g/cm³
vapor pressure	0.001Pa@25°C
refractive index	1.5805 (estimate)
Fp	216°C
storage temp.	2-8°C
solubility	95% ethanol: soluble50mg/mL, clear, colorless
form	Crystalline Powder
pka	7.56±0.35(Predicted)
color	White to light yellow
Odor	ylsh. cryst., rose-like odor
Water Solubility	<0.1 g/100 mL at 20 ºC
Merck	14,6954
BRN	1913145
Henry's Law Constant	6.6×10² mol/(m³Pa) at 25℃, HSDB (2015)
Major Application	cleaning products cosmetics environmental food and beverages personal care
Cosmetics Ingredients Functions	LIGHT STABILIZER UV ABSORBER UV FILTER
Cosmetic Ingredient Review (CIR)	UV absorber UV-9 (131-57-7)
InChI	1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3
Contact allergens	BZP-3 is used as a direct sunscreen agent and in antiaging creams. Allergic reactions have been reported. Cross-reactivity is expected in an average of one in four patients photoallergic to ketoprofen. less more
InChIKey	DXGLGDHPHMLXJC-UHFFFAOYSA-N
SMILES	COc1ccc(c(O)c1)C(=O)c2ccccc2
LogP	3.45 at 40℃
Uses	benzophenone-3 (oxybenzone) is an oil-soluble uV absorber and filter with absorption rates within the uVA and uVB peak ranges. It has an approved usage level of up to 6 percent in the united States and 10 percent in the european union. Benzophenone-3 enhances SPF and is popular among sunscreen formulators given a concern over potential safety problems associated with more traditional sunscreen chemicals. However, some reports associate it with causing photocontact allergy. It is considered a non-comedogenic raw material. less more
CAS DataBase Reference	131-57-7(CAS DataBase Reference)
NIST Chemistry Reference	Oxybenzone(131-57-7)
EPA Substance Registry System	131-57-7(EPA Substance)

Safety Data

Symbol(GHS)	GHS09
Signal word	Warning
Hazard statements	H410
Precautionary statements	P273-P391-P501
Hazard Codes	Xi
Risk Statements	R36/37/38:Irritating to eyes, respiratory system and skin . less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . less more
RIDADR	UN 3077 9/PG III
WGK Germany	2
RTECS	DJ1575000
TSCA	Yes
REACH Registrations	Active
HazardClass	9
PackingGroup	III
HS Code	29145000
Storage Class	13 - Non Combustible Solids
Hazard Classifications	Aquatic Acute 1 Aquatic Chronic 2
Safety Profile	Poison by intraperitoneal route. Mddly toxic by ingestion. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. less more
Hazardous Substances Data	131-57-7(Hazardous Substances Data)
Toxicity	LD50 orally in rats: >12.8 g/kg (Lewerenz) less more

Raw materials And Preparation Products

Hazard Information

Uses

Oxybenzone is an organic compound used in sunscreens. Oxybenzone is used as an ingredient in sunscreen and other cosmetics because it absorbs UVB and short-wave UVA (ultraviolet) rays. Oxybenzone was one of the first compounds incorporated into sunscreen formulations to offer enhanced UVA protection because its absorption spectrum extends to less than 350 nm.

Uses

Sunscreen. UV stabilizer

Uses

ultraviolet screen

Definition

ChEBI: A hydroxybenzophenone that is benzophenone which is substituted at the 2and 4-positions of one of the benzene rings by hydroxy and methoxy groups respectively.

Uses

Ultraviolet light absorber and stabilizer, especially in plastics and paints.

General Description

White to off-white or light yellow powder.

Air & Water Reactions

Insoluble in water.

Fire Hazard

Flash point data for this chemical are not available; however, 2-HYDROXY-4-METHOXYBENZOPHENONE is probably combustible.

Preparation

Preparation by partial methylation of 2,4- dihydroxy-benzophenone,
? with methyl iodide in the presence of sodium hydroxide;
? with a methyl halide;
? with dimethyl sulfate in the presence of sodium hydroxide or alkaline solution.

Brand name

Uvinul M40 (BASF).

Synthesis Reference(s)

Tetrahedron, 42, p. 885, 1986 DOI: 10.1016/S0040-4020(01)87495-0

Flammability and Explosibility

Nonflammable(100%)

Material Safety Data Sheet(MSDS)

Questions And Answer

description
Oxybenzone is an organic compound used in sunscreens. It is a derivative of benzophenone. It forms colorless crystals that are readily soluble in most organic solvents. It is used as an ingredient in sunscreen and other cosmetics because it absorbs UV-A ultraviolet rays.
Oxybenzone absorbs UVB and UVA II rays, resulting in a photochemical excitation and absorption of energy. Upon return to ground state, the absorbed energy results in emission of longer wavelength radiation and decreased skin penetration of radiation which reduces the risk of DNA damage.;
Chemical properties
light yellow crystalline powder, soluble in ethanol, acetone and other organic solvents, insoluble in water.;
Application and Synthesis
UV-9 is a light yellow or white crystalline powder, also known as sunscreen 2, BP-3, suitable for polyvinyl chloride, polyvinylidene chloride, polymethyl methacrylate , unsaturated polyester, ABS resin and cellulose resin and other plastics, the maximum absorption wavelength range of 280-340 nm, the general amount of 0.1-1.5%, good thermal stability, does not decompose at 200 ℃. This product hardly absorb visible light, it applies to light-colored transparent products. This product can also be used for paints and synthetic rubber. For the broad-spectrum UV absorbers, with high absorption rate, non-toxic, non-teratogenic effect, light, thermal stability. UV-9 can absorb UV-A and UV-B together, is the US FDA approved Class I sunscreen and being used with a higher frequency in the US and European countries. UV-9 is widely used in sunscreen cream, cream, honey, lotion, oil and other sunscreen cosmetics, but also as a product from the photosensitive and discoloration of the anti-discoloration agent. In addition, it is usually used for PVC and unsaturated polyester and many other fields, because UV-9 has good compatibility with many kinds of plastics and resins.;
Improvement of UV - 9 Production Process
Using mixed acid as catalyst, trichloromethylbenzene and resorcinol were condensed into intermediate 2,4-dihydroxydiphenyl ketone in aqueous phase, and then the catalyst was treated with phase transfer catalyst, etherification of the target product UV-9.;

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

Zhangjiagang Xikai Chemical Co.,Ltd

Telephone051255701600 13962289590

Websitehttp://www.xikaichem.com

Jobachem Suzhou Co., Ltd

Telephone0512-62927368; 18136961057

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Hangzhou Lin'an tianhong biotechnology co.,ltd.

Telephone13606615626; 15957181975

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FUJIAN DISHENG TECHNOLOGY CO.,LTD.

Telephone0571-88226505 17757185101

Websitehttp://www.dishengchem.com/

Hubei Hengluyuan Technology co.ltd

Telephone027-88188016 18717196322

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Shanxi Xinchao New Materials Co., Ltd.

Telephone 18305035622

Websitehttps://www.kefengchem.net

Telephone18769832557 18769832558

Website

Tianjin Zhongxin Chemtech Co., Ltd.

Telephone022-66880623

Websitehttp://www.tjzxchem.com

J & K SCIENTIFIC LTD.

Telephone18210857532 18210857532

Websitehttps://www.jkchemical.com

Changzhou Sunchem Pharmaceutical Chemical Material Co.,Ltd.

Telephone0519-85195575 15861192208

Websitehttp://www.sunkechem.com

Meryer (Shanghai) Chemical Technology Co., Ltd.

Telephone4006356688 18621169109

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Alfa Aesar

Telephone400-6106006

Websitehttp://chemicals.thermofisher.cn

TAIYUAN RHF CO.,LTD.

Telephone+86 351 7031519

Websitehttp://www.rhfchem.com/

TCI (Shanghai) Development Co., Ltd.

Telephone021-67121386

Websitehttps://www.tcichemicals.com/CN/zh/

Energy Chemical

Telephone021-021-58432009 400-005-6266

Websitehttp://www.energy-chemical.com

Capot Chemical Co., Ltd

Telephone+86 (0) 571 85 58 67 18

Websitehttp://www.capotchem.com/

Beijing Ouhe Technology Co., Ltd

Telephone13552068683 13522913783

Websitehttp://www.ouhetech.cn/

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131-57-7

Chemical Properties

Safety Data

Raw materials And Preparation Products

Raw materials

Preparation Products

Hazard Information

Uses

Uses

Uses

Definition

Uses

General Description

Air & Water Reactions

Fire Hazard

Preparation

Brand name

Synthesis Reference(s)

Flammability and Explosibility

Material Safety Data Sheet(MSDS)

Questions And Answer

description

Chemical properties

Application and Synthesis

Improvement of UV - 9 Production Process

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

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