239755
4-tert-Butylbenzoic acid
≥99%
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About This Item
Linear Formula:
(CH3)3CC6H4CO2H
CAS Number:
Molecular Weight:
178.23
EC Number:
202-696-3
UNSPSC Code:
12352100
MDL number:
Beilstein/REAXYS Number:
607545
InChI
1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)
InChI key
KDVYCTOWXSLNNI-UHFFFAOYSA-N
SMILES string
CC(C)(C)c1ccc(cc1)C(O)=O
assay
≥99%
mp
162-165 °C (lit.)
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General description
4-tert-Butylbenzoic acid is an endocrine-disrupting chemical (EDC) present in honey. It was quantitated by an analytical method based on liquid chromatography-electrospray ionisation mass spectrometry (LC-ESI-MS).
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I Anundi et al.
Chemico-biological interactions, 50(3), 277-288 (1984-08-01)
Isolated hepatocytes incubated with selenite (30-100 microM) exhibited changes in the glutathione redox system as shown by an increase in O2 consumption, oxidation of glutathione and loss of NADPH. Selenite (50 microM) raised O2 consumption within the 1 h and
Inhibition of hepatic gluconeogenesis and lipogenesis by benzoic acid, p-tert.-butylbenzoic acid, and a structurally related hypolipidemic agent SC-33459.
S A McCune et al.
Archives of biochemistry and biophysics, 214(1), 124-133 (1982-03-01)
E Rodríguez-Gonzalo et al.
Analytical and bioanalytical chemistry, 398(3), 1239-1247 (2010-03-26)
The present work describes the development and validation of an analytical method based on liquid chromatography (LC), coupled with tandem mass spectrometry (MS/MS) that allows the determination and confirmation of several endocrine-disrupting chemicals (EDCs) in honey. The EDCs studied were
M Karabacak et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 85(1), 179-189 (2011-10-26)
The solid phase FTIR and FT-Raman spectra of 4-butyl benzoic acid (4-BBA) have been recorded in the regions 400-4000 and 50-4000cm(-1), respectively. The spectra were interpreted in terms of fundamentals modes, combination and overtone bands. The structure of the molecule
Robert S Armstrong et al.
Proceedings of the National Academy of Sciences of the United States of America, 99(8), 4987-4992 (2002-04-04)
(1H) and (13)C NMR titrations in both CDCl(3) and CD(3)OD demonstrate that 4-tert-butylbenzoic acid interacts with both propane-1,2-diamine and propane-1,3-diamine to yield 1:2 host-guest complexes in these solvents. Based on this observation, the isolation of new three-dimensional molecular arrays through
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