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

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2-Hydroxy-4-methoxybenzophenone

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Catalog Number

ACM131577-1

Product Name

2-Hydroxy-4-methoxybenzophenone

Structure

CAS

131-57-7

Category

Plastic Additives

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

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

MSDS

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COA

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Spec Sheet

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