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
assay
≥99%
mp
162-165 °C (lit.)
SMILES string
CC(C)(C)c1ccc(cc1)C(O)=O
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
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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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
Knut-Erik Tollefsen et al.
Ecotoxicology and environmental safety, 69(2), 163-172 (2007-05-22)
Alkylphenols are well-known endocrine disrupters, mediating effects through the estrogen receptor (ER). In the present work, the interaction of alkylphenols and alkylated non-phenolics with hepatic rainbow trout (Oncorhynchus mykiss) estrogen receptors (rtERs) was determined. The role of alkyl chain length
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