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Details

Stereochemistry ACHIRAL
Molecular Formula C11H14O2.C6H15N
Molecular Weight 279.4177
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Triethylammonium 4-tert-butylbenzoate

SMILES

CCN(CC)CC.CC(C)(C)C1=CC=C(C=C1)C(O)=O

InChI

InChIKey=CUFVEFNSNXROKL-UHFFFAOYSA-N
InChI=1S/C11H14O2.C6H15N/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-4-7(5-2)6-3/h4-7H,1-3H3,(H,12,13);4-6H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C6H15N
Molecular Weight 101.19
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C11H14O2
Molecular Weight 178.2277
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
A confirmatory method for the determination of phenolic endocrine disruptors in honey using restricted-access material-liquid chromatography-tandem mass spectrometry.
2010-10
Determination of endocrine disruptors in honey by CZE-MS using restricted access materials for matrix cleanup.
2010-07
Binding of alkylphenols and alkylated non-phenolics to rainbow trout (Oncorhynchus mykiss) hepatic estrogen receptors.
2008-02
Determination of endocrine-disrupting compounds in cereals by pressurized liquid extraction and liquid chromatography-mass spectrometry. Study of background contamination.
2006-12-29
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006-11
Double fluorescence conversion in ultraviolet and visible region for some praseodymium complexes of aromatic carboxylates.
2006-07
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.
2004-11-21
Determination of weakly acidic endocrine-disrupting compounds by liquid chromatography-mass spectrometry with post-column base addition.
2004-11-12
Noncovalent binding of sensitizers for lanthanide(III) luminescence in an EDTA-bis(beta-cyclodextrin) ligand.
2002-03-06
Patents
Substance Class Chemical
Created
by admin
on Wed Apr 02 18:45:19 GMT 2025
Edited
by admin
on Wed Apr 02 18:45:19 GMT 2025
Record UNII
G268DML4DX
Record Status Validated (UNII)
Record Version
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Name Type Language
4-tert-Butylbenzoic acid N,N-diethylethanamine
Preferred Name English
Triethylammonium 4-tert-butylbenzoate
Systematic Name English
Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with N,N-diethylethanamine (1:1)
Systematic Name English
Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with N,N-diethylethanamine
Systematic Name English
Code System Code Type Description
PUBCHEM
44147197
Created by admin on Wed Apr 02 18:45:19 GMT 2025 , Edited by admin on Wed Apr 02 18:45:19 GMT 2025
PRIMARY
CAS
68929-15-7
Created by admin on Wed Apr 02 18:45:19 GMT 2025 , Edited by admin on Wed Apr 02 18:45:19 GMT 2025
PRIMARY
FDA UNII
G268DML4DX
Created by admin on Wed Apr 02 18:45:19 GMT 2025 , Edited by admin on Wed Apr 02 18:45:19 GMT 2025
PRIMARY
EPA CompTox
DTXSID6071873
Created by admin on Wed Apr 02 18:45:19 GMT 2025 , Edited by admin on Wed Apr 02 18:45:19 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE