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

EC Number:

202-696-3

UNSPSC Code:

12352100

MDL number:

MFCD00002563

Beilstein/REAXYS Number:

607545

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Properties

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

Description

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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