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Details

Stereochemistry ACHIRAL
Molecular Formula C11H14O2
Molecular Weight 178.2277
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-tert-Butylbenzoic acid

SMILES

CC(C)(C)C1=CC=C(C=C1)C(O)=O

InChI

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

HIDE SMILES / InChI
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

Unknown
149124
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

Patents

04831055
7
06015925
5
06180677
6
JPH05202132A
5
JPH1053668A
6
JPS5724330A
5
JPS59221389A
5
Substance Class Chemical
Created
by admin
on Mon Mar 31 20:46:11 GMT 2025
Edited
by admin
on Mon Mar 31 20:46:11 GMT 2025
Record UNII
43Z7T3VN0R
Record Status Validated (UNII)
Record Version
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Name Type Language
4-tert-Butylbenzoic acid
Systematic Name English
4-t-Butylbenzoic acid
INCI  
INCI  
Preferred Name English
NSC-4802
Code English
p-tert-Butylphenylcarboxylic acid
Common Name English
Benzoic acid, 4-(1,1-dimethylethyl)-
Systematic Name English
p-tert-Butylbenzoic acid
HSDB  
Common Name English
p-t-Butylbenzoic acid
Common Name English
BBA
Brand Name English
4-t-Butylbenzoate
Systematic Name English
4-(1,1-Dimethylethyl)benzoic acid
Systematic Name English
p-tert-Butylbenzoic acid [HSDB]
Common Name English
Benzoic acid, p-tert-butyl-
Common Name English
Code System Code Type Description
MESH
C034290
Created by admin on Mon Mar 31 20:46:11 GMT 2025 , Edited by admin on Mon Mar 31 20:46:11 GMT 2025
PRIMARY
EPA CompTox
DTXSID0040703
Created by admin on Mon Mar 31 20:46:11 GMT 2025 , Edited by admin on Mon Mar 31 20:46:11 GMT 2025
PRIMARY
NSC
4802
Created by admin on Mon Mar 31 20:46:11 GMT 2025 , Edited by admin on Mon Mar 31 20:46:11 GMT 2025
PRIMARY
WIKIPEDIA
para-tert-Butylbenzoic acid
Created by admin on Mon Mar 31 20:46:11 GMT 2025 , Edited by admin on Mon Mar 31 20:46:11 GMT 2025
PRIMARY
HSDB
5321
Created by admin on Mon Mar 31 20:46:11 GMT 2025 , Edited by admin on Mon Mar 31 20:46:11 GMT 2025
PRIMARY
ECHA (EC/EINECS)
202-696-3
Created by admin on Mon Mar 31 20:46:11 GMT 2025 , Edited by admin on Mon Mar 31 20:46:11 GMT 2025
PRIMARY
PUBCHEM
7403
Created by admin on Mon Mar 31 20:46:11 GMT 2025 , Edited by admin on Mon Mar 31 20:46:11 GMT 2025
PRIMARY
CAS
98-73-7
Created by admin on Mon Mar 31 20:46:11 GMT 2025 , Edited by admin on Mon Mar 31 20:46:11 GMT 2025
PRIMARY
SMS_ID
300000053062
Created by admin on Mon Mar 31 20:46:11 GMT 2025 , Edited by admin on Mon Mar 31 20:46:11 GMT 2025
PRIMARY
FDA UNII
43Z7T3VN0R
Created by admin on Mon Mar 31 20:46:11 GMT 2025 , Edited by admin on Mon Mar 31 20:46:11 GMT 2025
PRIMARY
Related Record Type Details
Structure of Potassium p-tert-butylbenzoate
SALT/SOLVATE -> PARENT
Structure of Triethylammonium 4-tert-butylbenzoate
SALT/SOLVATE -> PARENT
Structure of 4-tert-Butylbenzoic acid, isopropanolamine salt
SALT/SOLVATE -> PARENT
Structure of Sodium 4-tert-butylbenzoate
SALT/SOLVATE -> PARENT
Structure of Barium 4-tert-butylbenzoate
SALT/SOLVATE -> PARENT
Structure of 4-tert-Butylbenzoic acid, Morpholine
SALT/SOLVATE -> PARENT
Structure of Magnesium 4-tert-butylbenzoate
SALT/SOLVATE -> PARENT
Structure of Zinc 4-tert-butylbenzoate
SALT/SOLVATE -> PARENT
Structure of p-tert-Butylbenzoic acid monoethanolamine salt
SALT/SOLVATE -> PARENT
Structure of Calcium 4-tert-butylbenzoate
SALT/SOLVATE -> PARENT
Structure of Lead 4-tert-butylbenzoate
SALT/SOLVATE -> PARENT
Structure of Triethanolamine 4-tert-butylbenzoate (salt)
SALT/SOLVATE -> PARENT
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