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

• CAS: 4065-45-6
• Catalog Number: ACM4065456
• Category: Other Products
• Molecular Weight: 308.31g/mol
• Molecular Formula: C14H12O6S
• Description: DryPowder
• Synonyms: Uvistat 1121;UV ABSORBER HMBS;TIMTEC-BB SBB002961;SULISOBENZONE;spectra-sorb uv 284;5-BENZOYL-4-HYDROXY-2-METHOXYBENZENESULFONIC ACID;2-HYDROXY-4-METHOXYBENZOPHENONE-5-SULPHONIC ACID;2-HYDROXY-4-METHOXYBENZOPHENONE-5-SULFONIC ACID
• IUPAC Name: 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid
• Canonical SMILES: COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O
• 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)
• InChI Key: CXVGEDCSTKKODG-UHFFFAOYSA-N
• Boiling Point: 0°C
• Melting Point: 145.0 °C;145 °C
• Flash Point: 0°C
• Solubility: 0.81 M;In water, 2.5X10+5 mg/L at 25 °C;1 g dissolves in 2 mL methanol, 3.3 mL ethanol, 4 mL water, 100 mL ethyl acetate.
• Color/Form: Light-tan powder
• Complexity: 462
• Covalently-Bonded Unit Count: 1
• Decomposition: When heated to decomposition it emits toxic vapors of /sulfur oxides/.
• EC Number: 223-772-2;613-918-7
• Exact Mass: 308.035459g/mol
• Formal Charge: 0
• Hazard Statements: Xi
• H-Bond Acceptor: 6
• H-Bond Donor: 2
• Heavy Atom Count: 21
• LogP: log Kow = 0.37 (est)
• Monoisotopic Mass: 308.035459g/mol
• Other Experimental: Henry's Law constant = 7X10-15 atm-cu m/mole at 25 °C (est);Hydroxyl radical reaction rate constant: 7.5X10-11 cu cm/molecule sec at 25 °C (est)
• Rotatable Bond Count: 4
• Safety Description: 26-36-37/39-36/37/39-27
• Stability: Stable under recommended storage conditions.
• Supplemental Hazard Statements: H361-H335-H315-H319-H412
• Symbol: GHS07,GHS08
• UNII: 1W6L629B4K
• Vapor Pressure: 1.3X10-11 mm Hg at 25 °C (est)
• XLogP3: 2.2

Custom Q&A

What is the molecular formula of sulisobenzone?

The molecular formula of sulisobenzone is C14H12O6S.

What are some synonyms for sulisobenzone?

Some synonyms for sulisobenzone include Benzophenone-4 and 5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid.

How is sulisobenzone approved by the FDA?

Sulisobenzone is approved by the FDA in concentrations of up to 10%.

What is the main function of sulisobenzone in sunscreens?

Sulisobenzone works to filter out both UVA and UVB rays, protecting the skin from sun UV damage.

What category do benzophenones fall under?

Benzophenones fall under the drug category.

What are some industrial applications of benzophenones?

Benzophenones are used as photoinitiators, fragrance enhancers, ultraviolet curing agents, and occasionally as flavor ingredients.

What is the InChIKey for sulisobenzone?

The InChIKey for sulisobenzone is CXVGEDCSTKKODG-UHFFFAOYSA-N.

What is the molecular weight of sulisobenzone?

The molecular weight of sulisobenzone is 308.31 g/mol.

What is the EC number for sulisobenzone?

The EC number for sulisobenzone is 223-772-2.

How many hydrogen bond donor counts does sulisobenzone have?

Sulisobenzone has 2 hydrogen bond donor counts.

Synthetic Use

Upstream Synthesis Route 1

• 131-57-7

• 4065-45-6

Reference: [1] Patent: US5072034, 1991, A,

Downstream Synthesis Route 1

• 4065-45-6
• 1609-47-8

• 19337-04-3

Reference: [1]Bulletin de la Societe Chimique de France,1968,p. 329 - 335

* For details of the synthesis route, please refer to the original source to ensure accuracy.