Butylparaben

• Formula: C₁₁H₁₄O₃
• Molecular weight: 194.2271
• IUPAC Standard InChI: InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3 Copy

  
• IUPAC Standard InChIKey: QFOHBWFCKVYLES-UHFFFAOYSA-N Copy
• CAS Registry Number: 94-26-8
• 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-, butyl ester; Benzoic acid, p-hydroxy-, butyl ester; n-Butyl p-hydroxybenzoate; p-Hydroxybenzoic acid, butyl ester; Aseptoform butyl; Butoben; Butyl chemosept; Butyl p-hydroxybenzoate; Butyl parasept; Butyl Butex; Butyl Tegosept; Butyl 4-hydroxybenzoate; Nipabutyl; Preserval B; Solbrol B; SPF; Tegosept B; Tegosept butyl; 4-(Butoxycarbonyl)phenol; 4-Hydroxybenzoic acid, butyl ester; n-Butyl-4-hydroxybenzoate; n-Butyl parahydroxybenzoate; Lexgard B; n-Butyl-paraben; p-Hydroxybenzoic acid, n-butyl ester; NSC 8475
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• Information on this page:
  • IR Spectrum
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Phase change data
  • Mass spectrum (electron ionization)
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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

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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Normal alkane RI, non-polar column, custom temperature program

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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.

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]

Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A., New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments, Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [all data]

Notes

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