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Details

Stereochemistry ACHIRAL
Molecular Formula C11H14O2.C6H15NO3
Molecular Weight 327.4159
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Triethanolamine 4-tert-butylbenzoate (salt)

SMILES

OCCN(CCO)CCO.CC(C)(C)C1=CC=C(C=C1)C(O)=O

InChI

InChIKey=GUIXCMVLDXWZDB-UHFFFAOYSA-N
InChI=1S/C11H14O2.C6H15NO3/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;8-4-1-7(2-5-9)3-6-10/h4-7H,1-3H3,(H,12,13);8-10H,1-6H2

HIDE SMILES / InChI

Molecular Formula C6H15NO3
Molecular Weight 149.1882
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
Noncovalent binding of sensitizers for lanthanide(III) luminescence in an EDTA-bis(beta-cyclodextrin) ligand.
2002 Mar 6
Determination of weakly acidic endocrine-disrupting compounds by liquid chromatography-mass spectrometry with post-column base addition.
2004 Nov 12
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 Nov 21
Determination of endocrine-disrupting compounds in cereals by pressurized liquid extraction and liquid chromatography-mass spectrometry. Study of background contamination.
2006 Dec 29
Double fluorescence conversion in ultraviolet and visible region for some praseodymium complexes of aromatic carboxylates.
2006 Jul
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006 Nov
Binding of alkylphenols and alkylated non-phenolics to rainbow trout (Oncorhynchus mykiss) hepatic estrogen receptors.
2008 Feb
Determination of endocrine disruptors in honey by CZE-MS using restricted access materials for matrix cleanup.
2010 Jul
A confirmatory method for the determination of phenolic endocrine disruptors in honey using restricted-access material-liquid chromatography-tandem mass spectrometry.
2010 Oct
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 20:11:33 GMT 2023
Edited
by admin
on Sat Dec 16 20:11:33 GMT 2023
Record UNII
3G65LF3VG8
Record Status Validated (UNII)
Record Version
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Name Type Language
Triethanolamine 4-tert-butylbenzoate (salt)
Systematic Name English
Triethanolamine p-tert-butylbenzoate (salt)
Systematic Name English
Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 2,2′,2′′-nitrilotris[ethanol] (1:1)
Common Name English
Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 2,2′,2′′-nitrilotris[ethanol]
Common Name English
p-tert-Butylbenzoic acid triethanolamine salt
Systematic Name English
Code System Code Type Description
CAS
59993-86-1
Created by admin on Sat Dec 16 20:11:33 GMT 2023 , Edited by admin on Sat Dec 16 20:11:33 GMT 2023
PRIMARY
ECHA (EC/EINECS)
262-014-5
Created by admin on Sat Dec 16 20:11:33 GMT 2023 , Edited by admin on Sat Dec 16 20:11:33 GMT 2023
PRIMARY
PUBCHEM
93327
Created by admin on Sat Dec 16 20:11:33 GMT 2023 , Edited by admin on Sat Dec 16 20:11:33 GMT 2023
PRIMARY
FDA UNII
3G65LF3VG8
Created by admin on Sat Dec 16 20:11:33 GMT 2023 , Edited by admin on Sat Dec 16 20:11:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID6069373
Created by admin on Sat Dec 16 20:11:33 GMT 2023 , Edited by admin on Sat Dec 16 20:11:33 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE