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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

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
Determination of endocrine-disrupting compounds in cereals by pressurized liquid extraction and liquid chromatography-mass spectrometry. Study of background contamination.
2006 Dec 29
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006 Nov
Patents
Name Type Language
4-tert-butylbenzoic acid
Systematic 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
4-t-Butylbenzoic acid [INCI]
Common Name English
p-t-Butylbenzoic acid
Common Name English
BBA
Brand Name English
4-t-Butylbenzoate
Systematic Name English
4-t-Butylbenzoic acid
INCI  
INCI  
Official 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 Sat Dec 16 01:11:53 GMT 2023 , Edited by admin on Sat Dec 16 01:11:53 GMT 2023
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EPA CompTox
DTXSID0040703
Created by admin on Sat Dec 16 01:11:53 GMT 2023 , Edited by admin on Sat Dec 16 01:11:53 GMT 2023
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NSC
4802
Created by admin on Sat Dec 16 01:11:53 GMT 2023 , Edited by admin on Sat Dec 16 01:11:53 GMT 2023
PRIMARY
WIKIPEDIA
para-tert-Butylbenzoic acid
Created by admin on Sat Dec 16 01:11:53 GMT 2023 , Edited by admin on Sat Dec 16 01:11:53 GMT 2023
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HSDB
5321
Created by admin on Sat Dec 16 01:11:53 GMT 2023 , Edited by admin on Sat Dec 16 01:11:53 GMT 2023
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ECHA (EC/EINECS)
202-696-3
Created by admin on Sat Dec 16 01:11:53 GMT 2023 , Edited by admin on Sat Dec 16 01:11:53 GMT 2023
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PUBCHEM
7403
Created by admin on Sat Dec 16 01:11:53 GMT 2023 , Edited by admin on Sat Dec 16 01:11:53 GMT 2023
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CAS
98-73-7
Created by admin on Sat Dec 16 01:11:53 GMT 2023 , Edited by admin on Sat Dec 16 01:11:53 GMT 2023
PRIMARY
FDA UNII
43Z7T3VN0R
Created by admin on Sat Dec 16 01:11:53 GMT 2023 , Edited by admin on Sat Dec 16 01:11:53 GMT 2023
PRIMARY