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Sigma-Aldrich

4-tert-Butylbenzoic acid

99%

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About This Item

Linear Formula:
(CH3)3CC6H4CO2H
CAS Number:
98-73-7
Molecular Weight:
178.23
Beilstein:
607545
EC Number:
202-696-3
MDL number:
MFCD00002563
UNSPSC Code:
12352100
PubChem Substance ID:
24849021
NACRES:
NA.22

Quality Level

100

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

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General description

4-tert-Butylbenzoic acid was determined in water samples by means of liquid chromatography-electrospray ionisation mass spectrometry (LC-ESI-MS).

Application

4-tert-Butylbenzoic acid was used as a potent yeast sirtuin (Sir2p) inhibitor.

Pictograms

Health hazardExclamation mark
GHS08,GHS07

Signal Word

Danger

Hazard Statements

H302,H360F,H372,H412

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 3 - Repr. 1B - STOT RE 1

Storage Class Code

6.1D - Non-combustible acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects

WGK

WGK 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Patrycja Makoś et al.
Journal of chromatography. A, 1517, 26-34 (2017-09-01)
The paper presents a new method for the determination of 15 carboxylic acids in samples of postoxidative effluents from the production of petroleum bitumens using ion-pair dispersive liquid-liquid microextraction and gas chromatography coupled to mass spectrometry with injection port derivatization.
Yi-Pei Chen et al.
Bioorganic & medicinal chemistry letters, 24(1), 349-352 (2013-11-26)
Employing a genetically modified yeast strain as a screening tool, 4-dimethylaminobenzoic acid (5) was isolated from the marine sediment-derived Streptomyces sp. CP27-53 as a weak yeast sirtuin (Sir2p) inhibitor. Using this compound as a scaffold, a series of disubstituted benzene
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
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
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