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2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid

CAS：4065-45-6
MW:308.31
MF：C14H12O6S

2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid, with the chemical formula C14H12O6S and CAS registry number 4065-45-6, is a compound known for its applications in the field of photoprotection. This compound, also referred to as HMSA, is characterized by its hydroxy, methoxy, benzophenone, and sulfonic acid functional groups. It is commonly used as an ultraviolet (UV) absorber in sunscreens and other cosmetic products to protect the skin from harmful UV radiation. HMSA offers excellent photostability and broad-spectrum UV absorption properties, making it an ideal ingredient for sun protection formulations. Additionally, this compound has been found to possess antioxidant and anti-inflammatory properties, further enhancing its potential benefits for skin health. Overall, 2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid is a valuable compound in the field of photoprotection, contributing to the development of effective and safe sun care products.

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Names and ldentifier
Properties
Use and Manufacturing
Safety and Handling
Msds
Other Information
Computational chemical data
Related Questions
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid

1.2 Synonyms: 2-Hydroxy-4-Methoxy-5-sulfonylbenzophenone(BP-4); 2-Hydroxy-4-methoxybenzophenone-5-sulfonic Acid Hydrate; 2-HYDROXY-4-METHOXYBENZOPHENONE-5-SULPHONIC ACID; 5-BENZOYL-4-HYDROXY-2-METHOXYBENZENESULFONIC ACID; 5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic Acid Hydrate; 5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid,HMBS,Sulisobenzone; Benzenesulfonic acid, 5-benzoyl-4-hydroxy-2-methoxy-; Benzophenone-4; EINECS 223-772-2; MFCD00024962; spectra-sorb uv 284; Sulisobenzona; SULISOBENZONE; Sulisobenzone Hydrate; Sulisobenzonum; TIMTEC-BB SBB002961; Uv absorber BP-4(UV-284); UV ABSORBER HMBS; Uvistat 1121;

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1.3 CAS No.: 4065-45-6

1.4 CID: 19988

1.5 EINECS: 223-772-2

1.6 Molecular Formula: C14H12O6S

1.7 Inchi: InChI=1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19)

1.8 InChkey: CXVGEDCSTKKODG-UHFFFAOYSA-N

1.9 Canonical Smiles: COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

1.10 Isomers Smiles: COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

2. Properties

2.1 AnalyticLaboratory Methods: Analyte: sulisobenzone;; matrix: chemical identification; procedure: ultraviolet absorption spectrophotometry with comparison to standards

2.2 Appearance: White to Light yellow powder to crystal

2.3 Storage: Ambient temperatures.

2.4 Chemical Properties: white to yellowish powder

2.5 Color/Form: Light-tan powder

2.6 Contact Allergens: BZP-4 is widely used in cosmetics, particularly shampoosand hair products. Cross-reactivity is rarelyexpected in patients photoallergic to ketoprofen. 2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid Preparation Products And Raw materials Raw materials

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2.7 Decomposition: When heated to decomposition it emits toxic vapors of /sulfur oxides/.

2.8 pKa: -0.70±0.50(Predicted)

2.9 Water Solubility: 1 g dissolves in 2 mL methanol, 3.3 mL ethanol, 4 mL water, 100mL ethyl acetate.
In water, 2.5X10+5 mg/L at 25 deg C

2.10 Stability: Stable under recommended storage conditions.

2.11 StorageTemp: Inert atmosphere,Room Temperature

3. Use and Manufacturing

3.1 Description

2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid, with the chemical formula C14H12O6S, has the CAS number 4065-45-6. It appears as a solid with no specific color or odor mentioned. The basic structure of this compound consists of a benzophenone backbone with a hydroxy group and a methoxy group attached to one of the phenyl rings, as well as a sulfonic acid group attached to the other phenyl ring. The solubility of 2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid is not specified in the retrieved information. Safety information regarding this compound is not available.

Applicable Fields

The applicable fields and purpose of 2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid are not specified in the retrieved information. The mechanism of action of this chemical is also not mentioned.

Storage

ConditionsThe storage conditions for 2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid are not provided in the retrieved information.

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3.2 GHS Classification: Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 361 companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria by 47 of 361 companies. For more detailed information, please visit ECHA C&L website

Of the 17 notification(s) provided by 314 of 361 companies with hazard statement code(s):

H315 (92.99%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (56.37%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (99.68%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (19.43%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501

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3.3 Methods of Manufacturing: Benzophenone-4; is prepared via sulfonation of Benzophenone-3;. The product is purified by precipitation from aqueous HCl, isolated by centrifugation, washed with acidic water;, and dried.

3.4 Usage: 2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid is a commonly used, FDA approved sunscreen chemical with uVA-absorbing properties and an approved usage level of 5 to 10 percent. It protects a formulation from the effects of uV-light exposure.

4. Safety and Handling

4.1 Exposure Standards and Regulations: Sunscreen active ingredients. The active ingredient of the product consists of any of the following, within the concentration specified for each ingredient, and the finished product provides a minimum SPF value of not less than 2 as measured by the testing procedures established in subpart D of this part: Sulisobenzone up to 10 percent is included on this list.

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4.2 Octanol/Water Partition Coefficient: log Kow = 0.37 at 25 deg C (est)

4.3 Safety: Hazard Codes:?Xi
Risk Statements: 36/37/38?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39-36/37/39-27?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.?
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.?
S27:Take off immediately all contaminated clothing.
WGK Germany: 1
RTECS: DB5044300

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4.4 Specification: ?Sulisobenzone , its cas register number is 4065-45-6. It also can be called?2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid ; 2-Benzoyl-5-methoxy-1-phenol-4-sulfonic acid ; Spectra-Sorb UV 284 ; Uvistat 1121 ;?1-Phenol-4-sulfonic acid, 2-benzoyl-5-methoxy- (6CI) ; 5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid .It is a?white to yellowish powder.

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4.5 Toxicity

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	3530mg/kg (3530mg/kg)	?	Journal of the American College of Toxicology. Vol. 2(5), Pg. 35, 1983.

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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation H412 Harmful to aquatic life with long lasting effects
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P273 Avoid release to the environment.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention.
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. Synthesis Route

4065-45-6Total: 1 Synthesis Route

131-57-7 476 Suppliers

4065-45-6 332 Suppliers

7. Precursor and Product

precursor:

131-57-7

8. Computed Properties

Molecular Weight：308.31g/mol
Molecular Formula：C₁₄H₁₂O₆S
Compound Is Canonicalized：True
Exact Mass：2.2
XLogP3-AA：308.03545927
Monoisotopic Mass：308.03545927
Complexity：462
Rotatable Bond Count：4
Hydrogen Bond Donor Count：2
Hydrogen Bond Acceptor Count：6
Topological Polar Surface Area：109
Heavy Atom Count：：21
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBwOABAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgQACAAADASA2AIyB4AABoKIAqBSAHBCCEAkIAAIiBsGCMgMJzaGNRqAcWAl4BUIuYeI7OzOIIAAiAAIIABBAAEQABBAAAAAAAAAAA==

9.Other Information

Merck: 14,8983

BRN: 2889165

Chemical Properties: white to yellowish powder

Originator: Uval,Dome,US,1965

Uses: 2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid is a commonly used, FDA approved sunscreen chemical with uVA-absorbing properties and an approved usage level of 5 to 10 percent. It protects a formulation from the effects of uV-light exposure.

Uses: sulisobenzone is the drug name for benzophenone-4, a sunscreen chemical.

Uses: ultraviolet screen

Uses: Ultraviolet absorber for leather and textile fibers; in cosmetics and shampoos.

Manufacturing Process: 663 g of dichloroethane and 74.6 g 2-hydroxy-4-methoxybenzophenone were charged into a 3-neck flask equipped with stirrer, thermometer, reflux condenser and dropping funnel and a heating mantle. The solution was heated to the reflux temperature (85°C to 86°C) and was dehydrated by distilling off 66.5 g 1,2-dichloroethane. While maintaining at reflux, 30 g chlorosulfonic acid was added slowly over a period of about two hours. The rate of addition was regulated by the speed of evolution of the HCl. After all the chlorosulfonic acid was added, the charge was still maintained at reflux for an additional 15 minutes to remove traces of HCl. It was then cooled to 5°C and filtered. The filter cake was washed with 500 g cold 1,2-dichloroethane and dried. 98 g of product were obtained.

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Brand name: Sungard (Bayer).

Therapeutic Function: Sunscreen agent

General Description: Sulisobenzone is a broad spectrum organic UV filter in sunscreen formulations, known to absorb deleterious UV light.

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11. Related Questions

: What is the application of UV-284(BP-4) UV absorber?CAS NO: 4065-45-6 Chemical name: 2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid Characteristics: UV absorber BP-4 is a water-soluble dibenzoylmethane type UV absorber, approved by the FDA as a class ..; What is the broad-spectrum UV absorber 2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid used for?The UV absorber is capable of strongly and selectively absorbing high-energy UV rays and dissipating the absorbed energy as heat or harmless low-energy radiation, thus preventing damage to the skin an..; What are the applications and characteristics of 2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid?UV absorbers are a type of light stabilizer that can absorb the ultraviolet portion of sunlight and fluorescent light sources without undergoing any changes themselves. Plastics and other high molecul..

12. Realated Product Infomation

1. Names and Identifiers

1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 EINECS(EC#)
1.5 Molecular Formula
1.6 Inchi
1.7 InChkey
1.8 Canonical Smiles
1.9 Isomers Smiles

2. Properties

2.1 AnalyticLaboratory Methods
2.2 Appearance
2.3 Storage
2.4 Chemical Properties
2.5 Color/Form
2.6 Contact Allergens
2.7 Decomposition
2.8 pKa
2.9 Water Solubility
2.10 Stability
2.11 StorageTemp

3. Use and Manufacturing

3.1 Description
3.2 GHS Classification
3.3 Methods of Manufacturing
3.4 Usage

4. Safety and Handling

4.1 Exposure Standards and Regulations
4.2 Octanol/Water Partition Coefficient
4.3 Safety
4.4 Specification
4.5 Toxicity

5. Msds

6. Synthesis Route

7. Precursor and Product

8. Computational chemical data

9. Other Information

10. Toltal 305 Suppliers

11. Related Questions

12. Realated Product Infomation

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