Propylparaben

• Formula: C₁₀H₁₂O₃
• Molecular weight: 180.2005
• IUPAC Standard InChI: InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3 Copy

  
• IUPAC Standard InChIKey: QELSKZZBTMNZEB-UHFFFAOYSA-N Copy
• CAS Registry Number: 94-13-3
• 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: Benzoic acid, 4-hydroxy-, propyl ester; Benzoic acid, p-hydroxy-, propyl ester; p-Hydroxybenzoic acid, propyl ester; Aseptoform P; Bonomold OP; Chemocide PK; Nipasol; Nipasol M; Nipazol; Paseptol; Preserval P; Propagin; Propyl p-hydroxybenzoate; Propyl Butex; Propyl Chemosept; Propyl Parasept; Propyl 4-hydroxybenzoate; Pulvis conservans; Solbrol P; Tegosept P; 4-Hydroxybenzoic acid, propyl ester; n-Propyl 4-hydroxybenzoate; n-Propyl p-hydroxybenzoate; p-Hydroxybenzoic acid n-propyl ester; p-Hydroxypropyl benzoate; Betacide P; Chemacide pk; Nipagin P; Nipasol P; Paraben; Parasept; Propyl aseptoform; Propyl chemsept; Protaben P; Chemoside PK; Lexgard P; N-Propylparaben; Propyl parahydroxybenzoate; 4-Hydroxybenzoic acid, n-propyl ester; component of Heb-Cort MC; 59593-07-6
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• Information on this page:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of fusion

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: Coblentz Society, Inc.

Condensed Phase Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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

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.

Manzo and Ahumanda, 1990
Manzo, R.H.; Ahumanda, A.A., Effects of solvent medium on solubility. V: Enthalpic and entropic contributions to the free energy changes of Di-substituted benzene derivatives in ethanol: Water and ethanol: Cyclohexane mixtures, J. Pharm. Sci., 1990, 79, 12, 1109, https://doi.org/10.1002/jps.2600791214 . [all data]

Perlovich, Rodionov, et al., 2005
Perlovich, German L.; Rodionov, Sergey V.; Bauer-Brandl, Annette, Thermodynamics of solubility, sublimation and solvation processes of parabens, European Journal of Pharmaceutical Sciences, 2005, 24, 1, 25-33, https://doi.org/10.1016/j.ejps.2004.09.007 . [all data]

Giordano, Bettini, et al., 1999
Giordano, Ferdinando; Bettini, Ruggero; Donini, Cristina; Gazzaniga, Andrea; Caira, Mino R.; Zhang, Geoffrey G.Z.; Grant, David J.W., Physical properties of parabens and their mixtures: Solubility in water, thermal behavior, and crystal structures, J. Pharm. Sci., 1999, 88, 11, 1210-1216, https://doi.org/10.1021/js9900452 . [all data]

Manzo and Ahumada, 1990
Manzo, Ruben H.; Ahumada, Amelia A., Effects of solvent medium on solubility. V: Enthalpic and entropic contributions to the free energy changes of Di-substituted benzene derivatives in ethanol: Water and ethanol: Cyclohexane mixtures, J. Pharm. Sci., 1990, 79, 12, 1109-1115, https://doi.org/10.1002/jps.2600791214 . [all data]

Notes

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

• Symbols used in this document:
  

  Tfus	Fusion (melting) point
  ΔfusH	Enthalpy of fusion
  ΔsubH°	Enthalpy of sublimation at standard conditions

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