4-tert-butylbenzoic acid (Q2823226)

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chemical compound

• p-tert-Butylbenzoic acid

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Language	Label	Description	Also known as
English	4-tert-butylbenzoic acid	chemical compound	p-tert-Butylbenzoic acid

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

chemical structure

PTBBA Strukturformel.svg
92 × 151; 18 KB

1 reference

imported from Wikimedia project

German Wikipedia

mass

178.099±0 dalton

1 reference

stated in

PubChem

PubChem CID

7403

language of work or name

English

title

98-73-7 (English)

retrieved

19 October 2016

chemical formula

C₁₁H₁₄O₂

1 reference

stated in

PubChem

PubChem CID

7403

language of work or name

English

title

98-73-7 (English)

retrieved

20 November 2016

canonical SMILES

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

1 reference

stated in

PubChem

PubChem CID

7403

language of work or name

English

title

98-73-7 (English)

retrieved

20 November 2016

melting point

166.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

Commons category

Para-tert-Butylbenzoic acid

0 references

Identifiers

InChI

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

1 reference

stated in

PubChem

PubChem CID

7403

language of work or name

English

title

98-73-7 (English)

retrieved

20 November 2016

InChIKey

KDVYCTOWXSLNNI-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

7403

language of work or name

English

title

98-73-7 (English)

retrieved

20 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

98-73-7

2 references

stated in

Global Substance Registration System

UNII

43Z7T3VN0R

language of work or name

English

title

4-tert-butylbenzoic acid (English)

retrieved

20 November 2016

InChIKey

KDVYCTOWXSLNNI-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

8 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=98-73-7

ChemSpider ID

7125

1 reference

stated in

ChemSpider

ChemSpider ID

7125

language of work or name

English

title

4-t-butylbenzoic acid (English)

retrieved

20 November 2016

PubChem CID

7403

1 reference

stated in

PubChem

PubChem CID

7403

language of work or name

English

title

98-73-7 (English)

retrieved

20 November 2016

ChEBI ID

34443

mapping relation type

exact match

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL93746

language of work or name

English

title

CHEMBL93746 (English)

retrieved

20 November 2016

ChEMBL ID

CHEMBL93746

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL93746

language of work or name

English

title

CHEMBL93746 (English)

retrieved

20 November 2016

UniChem compound ID

126915

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP009578

0 references

SPLASH

splash10-01rf-9500000000-33fe4a180efeca1f9086

0 references

ZVG number

37710

0 references

HSDB ID

5321

1 reference

stated in

Hazardous Substances Data Bank

HSDB ID

5321

publication date

28 October 2019

title

P-TERT-BUTYLBENZOIC ACID (English)

retrieved

10 May 2021

DSSTox substance ID

DTXSID0040703

1 reference

stated in

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

DTXCID8020703

0 references

NSC number

4802

0 references

EC number

202-696-3

1 reference

stated in

Global Substance Registration System

UNII

43Z7T3VN0R

language of work or name

English

title

4-tert-butylbenzoic acid (English)

retrieved

20 November 2016

ECHA Substance Infocard ID

100.002.452

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.002.452

retrieved

27 December 2018

title

4-tert-butylbenzoic acid (English)

quotation

CAS no.: 98-73-7 (English)

CosIng number

54219

1 reference

stated in

CosIng database

CosIng number

54219

retrieved

28 December 2019

title

4-T-BUTYLBENZOIC ACID (English)

quotation

CAS no.: 98-73-7 (English)

AICS Chemical ID (BEING DELETED)

2251

0 references

UNII

43Z7T3VN0R

1 reference

stated in

Global Substance Registration System

UNII

43Z7T3VN0R

language of work or name

English

title

4-tert-butylbenzoic acid (English)

retrieved

20 November 2016

KEGG ID

C14535

1 reference

stated in

ChEBI

ChEBI ID

34443

language of work or name

English

title

4-t-Butylbenzoic acid (English)

retrieved

19 October 2016

PDB ligand ID

5R0

0 references

Freebase ID

/m/0m0dczv

0 references

HCIS ID

439

0 references

PDB structure ID

5EQ0

1 reference

stated in

Protein Data Bank

PDB structure ID

5EQ0

language of work or name

English

title

5EQ0 (English)

retrieved

19 October 2016

5EPK

1 reference

stated in

Protein Data Bank

PDB structure ID

5EPK

language of work or name

English

title

5EPK (English)

retrieved

19 October 2016

5EPJ

1 reference

stated in

Protein Data Bank

PDB structure ID

5EPJ

language of work or name

English

title

5EPJ (English)

retrieved

19 October 2016

5EPL

1 reference

stated in

Protein Data Bank

PDB structure ID

5EPL

language of work or name

English

title

5EPL (English)

retrieved

19 October 2016

 

Sitelinks

Wikipedia(6 entries)

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• dewiki 4-tert-Butylbenzoesäure
• enwiki Para-tert-Butylbenzoic acid
• fiwiki Tert-butyylibentsoehappo
• frwiki Acide 4-tert-butylbenzoïque
• shwiki Para-tert-Butilbenzojeva kiselina
• srwiki Para-tert-Butilbenzojeva kiselina

Wikibooks(0 entries)

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Wikinews(0 entries)

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Wikiquote(0 entries)

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Wikisource(0 entries)

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Wikiversity(0 entries)

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Wikivoyage(0 entries)

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Wiktionary(0 entries)

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Multilingual sites(1 entry)

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• commonswiki Category:Para-tert-Butylbenzoic acid

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