Ethylparaben

• Formula: C₉H₁₀O₃
• Molecular weight: 166.1739
• IUPAC Standard InChI: InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3 Copy

  
• IUPAC Standard InChIKey: NUVBSKCKDOMJSU-UHFFFAOYSA-N Copy
• CAS Registry Number: 120-47-8
• 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-, ethyl ester; Benzoic acid, p-hydroxy-, ethyl ester; p-Carbethoxyphenol; p-Hydroxybenzoate ethyl ester; p-Hydroxybenzoic acid ethyl ester; Aseptoform E; Bonomold OE; Easeptol; Ethyl p-hydroxybenzoate; Ethyl parasept; Ethyl Butex; Ethyl 4-hydroxybenzoate; Mycocten; Napagin A; Nipagin A; Nipazin A; Sobrol A; Solbrol A; Tegosept E; 4-Hydroxybenzoic acid, ethyl ester; Ethyl para-hydroxybenzoate; Ester etylowykwasu p-hydroksybenzoesowego; Ethylester kyseliny p-hydroxybenzoove; Ethyl p-oxybenzoate; Nipagina A; p-Oxybenzoesaeureaethylester; 4-(Ethoxycarbonyl)phenol; 4-Carbethoxyphenol; Aseptin A; Aseptine A; Para-hydroxybenzoic acid ethyl ester; Mekkings E; NSC 23514
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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

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.

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [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]

Nicoli, Bilzi, et al., 2008
Nicoli, S.; Bilzi, S.; Santi, P.; Caira, M.R.; Li, J.; Bettini, R., Ethyl-paraben and nicotinamide mixtures: Apparent solubility, thermal behavior and X-ray structure of the 1:1 co-crystal, J. Pharm. Sci., 2008, 97, 11, 4830-4839, https://doi.org/10.1002/jps.21341 . [all data]

Wassvik, Holmén, et al., 2008
Wassvik, Carola M.; Holmén, Anders G.; Draheim, Rieke; Artursson, Per; Bergström, Christel A.S., Molecular Characteristics for Solid-State Limited Solubility, J. Med. Chem., 2008, 51, 10, 3035-3039, https://doi.org/10.1021/jm701587d . [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]

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
  ΔfusH°	Enthalpy of fusion at standard conditions

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