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150355

4-tert-Butylbenzoic acid

Name: 4-<I>tert</I>-Butylbenzoic acid
Brand: ALDRICH

99%

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About This Item

Linear Formula:

(CH₃)₃CC₆H₄CO₂H

CAS Number:

98-73-7

Molecular Weight:

178.23

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24849021

EC Number:

202-696-3

Beilstein/REAXYS Number:

607545

MDL number:

MFCD00002563

Assay:

99%

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Properties

Quality Level

100

assay

99%

mp

162-165 °C (lit.)

functional group

carboxylic acid

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

Description

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.

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pictograms

GHS08,GHS07

signalword

Danger

hcodes

H302,H360F,H372,H412

pcodes

P202 - P260 - P264 - P273 - P301 + P312 - P308 + P313

Hazard Classifications

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

Storage Class

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

wgk

WGK 3

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

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Method for the determination of carboxylic acids in industrial effluents using dispersive liquid-liquid microextraction with injection port derivatization gas chromatography-mass spectrometry.

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.

Evaluation of benzoic acid derivatives as sirtuin inhibitors.

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

Binding of alkylphenols and alkylated non-phenolics to rainbow trout (Oncorhynchus mykiss) hepatic estrogen receptors.

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

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Global Trade Item Number

SKU	GTIN
150355-2KG	04061831828450
150355-500G	04061838738783