Sodium 4-tert-butylbenzoate

[Na+].CC(C)(C)C1=CC=C(C=C1)C([O-])=O

InChIKey=KTTMJIJHZNYOFB-UHFFFAOYSA-M

InChI=1S/C11H14O2.Na/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h4-7H,1-3H3,(H,12,13);/q;+1/p-1

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

PubMed

Title	Date	PubMed
Noncovalent binding of sensitizers for lanthanide(III) luminescence in an EDTA-bis(beta-cyclodextrin) ligand.	2002 Mar 6	11866621
Determination of weakly acidic endocrine-disrupting compounds by liquid chromatography-mass spectrometry with post-column base addition.	2004 Nov 12	15595542
Determination of endocrine-disrupting compounds in cereals by pressurized liquid extraction and liquid chromatography-mass spectrometry. Study of background contamination.	2006 Dec 29	17084848
Double fluorescence conversion in ultraviolet and visible region for some praseodymium complexes of aromatic carboxylates.	2006 Jul	16775769
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006 Nov	16497524
Determination of endocrine disruptors in honey by CZE-MS using restricted access materials for matrix cleanup.	2010 Jul	20593405

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:17:51 GMT 2023` Edited by `admin` on `Sat Dec 16 20:17:51 GMT 2023`
Record UNII	L4N2RM5466
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

Sodium 4-tert-butylbenzoate

Systematic Name

English

Benzoic acid, 4-(1,1-dimethylethyl)-, sodium salt (1:1)

Systematic Name

English

Sodium p-tert-butylbenzoate

Systematic Name

English

Benzoic acid, 4-(1,1-dimethylethyl)-, sodium salt

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

241-296-3