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
  The 3d structure may be viewed using Java or Javascript.
• 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
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Phase change data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
• Options:
  • Switch to calorie-based units

Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Phase change data

Go To: Top, Mass spectrum (electron ionization), References, Notes

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)

Go To: Top, Phase change data, References, Notes

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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

For Zoom

1.) Enter the desired X axis range (e.g., 100, 200)

2.) Check here for automatic Y scaling

3.) Press here to zoom

Additional Data

References

Go To: Top, Phase change data, Mass spectrum (electron ionization), Notes

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]

Notes

Go To: Top, Phase change data, Mass spectrum (electron ionization), References

• 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
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.