5-tert-butyl-m-xylene (Q21099115)

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chemical compound

• 1-tert-butyl-3,5-dimethylbenzene

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Language	Label	Description	Also known as
English	5-tert-butyl-m-xylene	chemical compound	1-tert-butyl-3,5-dimethylbenzene

Statements

instance of

type of chemical entity

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subclass of

chemical compound

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chemical structure

5-tert-Butyl-m-xylene.png
450 × 300; 2 KB

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mass

162.140850576 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₂H₁₈

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canonical SMILES

CC1=CC(=CC(=C1)C(C)(C)C)C

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melting point

−22.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

Commons category

1-tert-Butyl-3,5-dimethylbenzene

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Identifiers

InChI

InChI=1S/C12H18/c1-9-6-10(2)8-11(7-9)12(3,4)5/h6-8H,1-5H3

1 reference

reference URL

https://pubchem.ncbi.nlm.nih.gov/compound/7378

retrieved

April 2018

InChIKey

FZSPYHREEHYLCB-UHFFFAOYSA-N

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CAS Registry Number

98-19-1

2 references

imported from Wikimedia project

Japanese Wikipedia

InChIKey

FZSPYHREEHYLCB-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=98-19-1

PubChem CID

7378

1 reference

matched by identifier from

InChIKey

InChIKey

FZSPYHREEHYLCB-UHFFFAOYSA-N

UniChem compound ID

3537091

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP012293

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NMRShiftDB structure ID

20200181

1 reference

matched by identifier from

InChIKey

InChIKey

FZSPYHREEHYLCB-UHFFFAOYSA-N

DSSTox substance ID

DTXSID2052659

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

FZSPYHREEHYLCB-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID3031232

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NSC number

11016

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EC number

202-647-6

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.002.407

retrieved

27 December 2018

title

5-tert-butyl-m-xylene (English)

quotation

CAS no.: 98-19-1 (English)

ECHA Substance Infocard ID

100.002.407

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.002.407

retrieved

27 December 2018

title

5-tert-butyl-m-xylene (English)

quotation

CAS no.: 98-19-1 (English)

AICS Chemical ID (BEING DELETED)

1990

0 references

UNII

2GX9N8TLC9

1 reference

matched by identifier from

InChIKey

InChIKey

FZSPYHREEHYLCB-UHFFFAOYSA-N

Google Knowledge Graph ID

/g/11b7y9ttbb

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Sitelinks

Wikipedia(2 entries)

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• dewiki 1-tert-Butyl-3,5-dimethylbenzol
• jawiki 5-tert-ブチル-m-キシレン

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:1-tert-Butyl-3,5-dimethylbenzene

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