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
- IUPAC Standard InChIKey: QFOHBWFCKVYLES-UHFFFAOYSA-N
- 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
View 3d structure (requires JavaScript / HTML 5) - 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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Phase change data
Go To: Top, Gas Chromatography, 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: William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 108.4 ± 0.8 | kJ/mol | GS | Perlovich, Rodionov, et al., 2005 | Based on data from 320. to 333. K. |
Enthalpy of fusion
| ΔfusH (kJ/mol) | Temperature (K) | Reference |
|---|---|---|
| 26.6 | 341.8 | Giordano, Bettini, et al., 1999 |
Gas Chromatography
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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Ultra-1 | 1671. | Tokuda, Saitoh, et al., 1988 | 12.5 m/0.20 mm/0.11 μm, He, 5. K/min, 325. C @ 5. min; Tstart: 120. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polydimethyl siloxanes | 1665. | Zenkevich and Chupalov, 1996 | Program: not specified |
References
Go To: Top, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
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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