Methylparaben

• Formula: C₈H₈O₃
• Molecular weight: 152.1473
• IUPAC Standard InChI: InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3 Copy

  
• IUPAC Standard InChIKey: LXCFILQKKLGQFO-UHFFFAOYSA-N Copy
• CAS Registry Number: 99-76-3
• 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: Benzoic acid, 4-hydroxy-, methyl ester; Benzoic acid, p-hydroxy-, methyl ester; p-Carbomethoxyphenol; p-Hydroxybenzoic acid, methyl ester; p-Methoxycarbonylphenol; Abiol; Maseptol; Methaben; Methyl chemosept; Methyl p-hydroxybenzoate; Methyl Butex; Methyl Parasept; Methyl 4-hydroxybenzoate; Methylben; Metoxyde; Moldex; Nipagin; Nipagin M; Paridol; Preserval; Preserval M; Septos; Solbrol; Solbrol M; Tegosept M; 4-(Methoxycarbonyl)phenol; 4-Hydroxybenzoic acid, methyl ester; Aseptoform; Metaben; Methyl ester of p-hydroxybenzoic acid; Methylester kyseliny p-hydroxybenzoove; Methyl parahydroxybenzoate; p-Oxybenzoesauremethylester; Lexgard M; NSC 3827; Paraben M; Metagin; p-Hydroxybenzoic methyl ester; component of Heb-Cort MC; Paraben; Parasept; Methyl p-oxybenzoate; Methyl //p//-Hydroxybenzoate; Methylparaben USP; Nigagin; Solparol; Preserval MS; Solparol (Salt/Mix); Preserval MS (Salt/Mix)
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• Information on this page:
  • Gas phase ion energetics data
  • IR Spectrum
  • UV/Visible spectrum
  • References
  • Notes
• Other data available:
  • Phase change data
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Gas phase ion energetics 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess

De-protonation reactions

C₈H₇O₃^- +  =

By formula: C₈H₇O₃^- + H⁺ = C₈H₈O₃

IR Spectrum

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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

Gas Phase Spectrum

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Additional Data

UV/Visible spectrum

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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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

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.

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Fujio, McIver, et al., 1981
Fujio, M.; McIver, R.T., Jr.; Taft, R.W., Effects on the acidities of phenols from specific substituent-solvent interactions. Inherent substituent parameters from gas phase acidities, J. Am. Chem. Soc., 1981, 103, 4017. [all data]

Lang (editor), 1965
Lang (editor), L., Absorption Spectra in the Ultraviolet and Visible Region, 1965, 5, 81. [all data]

Notes

Go To: Top, Gas phase ion energetics data, IR Spectrum, UV/Visible spectrum, References

• Symbols used in this document:
  

  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

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