CAS 131-57-7 2-Hydroxy-4-methoxybenzophenone

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2-Hydroxy-4-methoxybenzophenone

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Catalog Number

ACM131577-1

CAS Number

131-57-7

Product Name

2-Hydroxy-4-methoxybenzophenone

Structure

Category

Plastic Additives; Polymers

Synonyms

Oxybenzone

Description

2-hydroxy-4-methoxybenzophenone appears as white to off-white or light yellow powder. (NTP, 1992);DryPowder; Liquid;Solid

IUPAC Name

(2-hydroxy-4-methoxyphenyl)-phenylmethanone

Molecular Weight

228

Molecular Formula

C14H12O3

Canonical SMILES

COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O

InChI

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

InChI Key

DXGLGDHPHMLXJC-UHFFFAOYSA-N

Boiling Point

302 to 320 °F at 5 mm Hg (NTP, 1992)

Melting Point

62.00-65.00 °C

Flash Point

100 °C (212 °F) - closed cup

Density

1.32 at 25 °C

Solubility

less than 1 mg/mL at 68° F (NTP, 1992);In water, 3.7 mg/L at 25 °C;Readily soluble in most organic solvents; freely soluble in alcohol and toluene; practically insoluble in water;Soluble in carbon tetrachloride;Solubility in various solvents (in percent): ethanol, 6%; acetone, >20%; chloroform, >20%; glycerin,<0.01%; isopropyl stearate, 9%; olive oil, 9%; peanut oil, 9%;1.28e-01 g/L

Application

2-Hydroxy-4-methoxybenzophenone serves as a crucial component in sunscreen and cosmetic formulations due to its ability to absorb ultraviolet (UV) radiation. This organic compound, commonly known as oxybenzone, is an FDA-approved UV filter that effectively absorbs both UVB and UVA II rays. By undergoing photochemical excitation, it captures UV energy and emits longer wavelength radiation, thus minimizing skin penetration and reducing the risk of DNA damage. This makes it an essential ingredient for protecting the skin from harmful UV exposure.

Color/Form

Colorless crystals;Crystals from isopropanol;White yellowish, cream colored powder;Pale yellow powder

Complexity

258

Covalently-Bonded Unit Count

EC Number

205-031-5

Exact Mass

228.078644g/mol

Formal Charge

Heavy Atom Count

Log P

3.79 (LogP);log Kow = 3.79;3.79

MeSH Entry Terms

2-hydroxy-4-methoxybenzone;2-hydroxy-4-methoxybenzophenone;benzophenone-3;Eusolex 4360;Eusolex-4360;HMBP cpd;oxybenzone;Solbar

Monoisotopic Mass

228.078644g/mol

NSC Number

757260;7778

Odor

Weak odor;Almost odorless or faint characteristic

Other Experimental

White to off-white powder. /USP/;UV: 939 (Absorption Spectra in the UV and visible Regions, Academic Press, New York) /Benzophenone, 2-hydroxy-4'-methoxy/;MASS: 38922 (NIST/EPA/MSDC Mass Spectral Database, 1990 version) /Benzophenone, 2-hydroxy-4'-methoxy/;UV: 1120 (Absorption Spectra in the UV and visible Regions, Academic Press, New York) /Benzophenone, 2-hydroxy-5-methoxy/;Henry's Law constant = 1.5X10-8 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 2.0X10-10 cu cm/molecule-sec at 25 °C (est)

Rotatable Bond Count

Stability

Stable under recommended storage conditions.;Shelf life: at least 2 years; Stability in distilled water: at least 96 hours; Stability in DMSO: at least 4 hours; Stability in corn oil: at least 10 days; Stability in acetone: at least 3 weeks; Stability in oily lotion: at least 3 weeks.

UNII

95OOS7VE0Y

Vapor Pressure

6.62X10-6 mm Hg at 25 °C (est)

XLogP3

3.6

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