Oxybenzone

• Formula: C₁₄H₁₂O₃
• Molecular weight: 228.2433
• IUPAC Standard 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 Copy

  
• IUPAC Standard InChIKey: DXGLGDHPHMLXJC-UHFFFAOYSA-N Copy
• CAS Registry Number: 131-57-7
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Methanone, (2-hydroxy-4-methoxyphenyl)phenyl-; Benzophenone, 2-hydroxy-4-methoxy-; Advastab 45; Anuvex; Benzophenone-3; Chimassorb 90; Cyasorb uv 9; Cyasorb uv 9 light absorber; Mob; Oxybenzon; Spectra-sorb UV 9; Sunscreen UV-15; Uvinul M 40; Uvinul 9; Uvistat 24; UF 3; UV 9; 2-Hydroxy-4-methoxybenzophenone; 4-Methoxy-2-hydroxybenzophenone; MOD; Syntase 62; USAF cy-9; (2-Hydroxy-4-methoxyphenyl)phenylmethanone; NCI-C60957; NSC-7778; 2-Benzoyl-5-methoxyphenol; Escalol 567; Eusolex 4360; HMBP; Neo heliopan BB; Ongrostab HMB
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• Information on this page:
  • Phase change data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Reduced pressure boiling point

Enthalpy of vaporization

Enthalpy of sublimation

Enthalpy of fusion

Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Schmitt and Hirt, 1960
Schmitt, Richard G.; Hirt, Robert C., Investigation of the protective ultraviolet absorbers in a space environment. I. Rate of evaporation and vapor pressure studies, J. Polym. Sci., 1960, 45, 145, 35-47, https://doi.org/10.1002/pol.1960.1204514504 . [all data]

Lago, Jimenez, et al., 2008
Lago, A.F.; Jimenez, P.; Herrero, R.; Dávalos, J.Z.; Abboud, J.-L.M., Thermochemistry and Gas-Phase Ion Energetics of 2-Hydroxy-4-methoxy-benzophenone (Oxybenzone), J. Phys. Chem. A, 2008, 112, 14, 3201-3208, https://doi.org/10.1021/jp7111999 . [all data]

Tokuda, Saitoh, et al., 1988
Tokuda, H.; Saitoh, E.; Kimura, Y.; Takano, S., Automated analysis of various compounds with a wide range of boiling points by capillary gas chromatgraphy based on retention indices, J. Chromatogr., 1988, 454, 109-120, https://doi.org/10.1016/S0021-9673(00)88606-9 . [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  ΔfusH	Enthalpy of fusion
  ΔsubH	Enthalpy of sublimation
  ΔvapH	Enthalpy of vaporization

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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