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98-73-7,MFCD12828694
Catalog No.:AA003LYD

98-73-7 | 4-tert-Butylbenzoic acid

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25g
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$15.00   $11.00
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500g
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA003LYD
Chemical Name:
4-tert-Butylbenzoic acid
CAS Number:
98-73-7
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD12828694
SMILES:
OC(=O)c1ccc(cc1)C(C)(C)C
NSC Number:
4802
Properties
Properties
 
BP:
283.3 °C at 760 mmHg  
Form:
Solid  
MP:
162-165 °C(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
183  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
3.9  

Literature

Title: Programed nebulizing-gas pressure mode for quantitative capillary electrophoresis-mass spectrometry analysis of endocrine disruptors in honey.

Journal: Electrophoresis 20120801

Title: Characterization of the antibacterial activity and the chemical components of the volatile oil of the leaves of Rubus parvifolius L.

Journal: Molecules (Basel, Switzerland) 20120625

Title: 2-Oxo-2H-chromen-4-yl 4-tert-butyl-benzoate.

Journal: Acta crystallographica. Section E, Structure reports online 20120201

Title: FT-IR, FT-Raman, NMR and UV-vis spectra, vibrational assignments and DFT calculations of 4-butyl benzoic acid.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120101

Title: Tetra-kis(μ-4-tert-butyl-benzoato)-κO:O,O';κO,O':O';κO:O'-bis-[aqua-bis-(4-tert-butyl-benzoato-κO,O')(4-tert-butyl-benzoic acid-κO)praseodymium(III)].

Journal: Acta crystallographica. Section E, Structure reports online 20110801

Title: Tetra-kis(μ-4-tert-butyl-benzoato)-κO:O';κO,O':O';κO:O,O'-bis-[aqua-(4-tert-butyl-benzoato-κO,O')(4-tert-butyl-benzoic acid-κO)neodymium(III)].

Journal: Acta crystallographica. Section E, Structure reports online 20110601

Title: Effects of a fluorescent Myosin light chain phosphatase inhibitor on prostate cancer cells.

Journal: Frontiers in oncology 20110101

Title: A confirmatory method for the determination of phenolic endocrine disruptors in honey using restricted-access material-liquid chromatography-tandem mass spectrometry.

Journal: Analytical and bioanalytical chemistry 20101001

Title: Determination of endocrine disruptors in honey by CZE-MS using restricted access materials for matrix cleanup.

Journal: Electrophoresis 20100701

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

Journal: Ecotoxicology and environmental safety 20080201

Title: 3D-QSAR and molecular docking studies of benzaldehyde thiosemicarbazone, benzaldehyde, benzoic acid, and their derivatives as phenoloxidase inhibitors.

Journal: Bioorganic & medicinal chemistry 20070301

Title: Determination of endocrine-disrupting compounds in cereals by pressurized liquid extraction and liquid chromatography-mass spectrometry. Study of background contamination.

Journal: Journal of chromatography. A 20061229

Title: Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.

Journal: Journal of molecular graphics & modelling 20061101

Title: Double fluorescence conversion in ultraviolet and visible region for some praseodymium complexes of aromatic carboxylates.

Journal: Journal of fluorescence 20060701

Title: Host-guest assembly of ligand systems for metal ion complexation. Synergistic solvent extraction of copper(II) and silver(I) by 1,4,8,11-tetrabenzyl-1,4,8,11-tetraazacyclodecane in combination with carboxylic acids.

Journal: Dalton transactions (Cambridge, England : 2003) 20041121

Title: Determination of weakly acidic endocrine-disrupting compounds by liquid chromatography-mass spectrometry with post-column base addition.

Journal: Journal of chromatography. A 20041112

Title: Noncovalent binding of sensitizers for lanthanide(III) luminescence in an EDTA-bis(beta-cyclodextrin) ligand.

Journal: Journal of the American Chemical Society 20020306

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