1,3-diisopropylbenzene (Q27259097)

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chemical compound

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Language	Label	Description	Also known as
English	1,3-diisopropylbenzene	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

diisopropylbenzene

0 references

chemical structure

1,3-Diisopropylbenzene.svg
265 × 340; 8 KB

0 references

mass

162.141 dalton

1 reference

stated in

PubChem

PubChem CID

7450

language of work or name

English

title

1,3-DIISOPROPYLBENZENE (English)

retrieved

14 October 2016

chemical formula

C₁₂H₁₈

1 reference

stated in

PubChem

PubChem CID

7450

language of work or name

English

title

1,3-DIISOPROPYLBENZENE (English)

retrieved

14 October 2016

canonical SMILES

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

1 reference

stated in

PubChem

PubChem CID

7450

language of work or name

English

title

1,3-DIISOPROPYLBENZENE (English)

retrieved

14 October 2016

melting point

−63.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

Identifiers

InChI

InChI=1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3

1 reference

stated in

PubChem

PubChem CID

7450

language of work or name

English

title

1,3-DIISOPROPYLBENZENE (English)

retrieved

14 October 2016

InChIKey

UNEATYXSUBPPKP-UHFFFAOYSA-N

1 reference

stated in

PubChem

PubChem CID

7450

language of work or name

English

title

1,3-DIISOPROPYLBENZENE (English)

retrieved

14 October 2016

CAS Registry Number

99-62-7

2 references

stated in

Global Substance Registration System

UNII

482VXW192E

language of work or name

English

title

1,3-diisopropylbenzene (English)

retrieved

14 October 2016

InChIKey

UNEATYXSUBPPKP-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

8 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=99-62-7

ChemSpider ID

7170

1 reference

stated in

ChemSpider

ChemSpider ID

7170

language of work or name

English

title

1,3-Diisopropylbenzene (English)

retrieved

14 October 2016

PubChem CID

7450

2 references

stated in

PubChem

PubChem CID

7450

language of work or name

English

title

1,3-DIISOPROPYLBENZENE (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

UNEATYXSUBPPKP-UHFFFAOYSA-N

ChEBI ID

189570

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3

ChEMBL ID

CHEMBL31352

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL31352

language of work or name

English

title

CHEMBL31352 (English)

retrieved

14 October 2016

UniChem compound ID

73079

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP012291

0 references

SPLASH

splash10-03ka-0900000000-19a6d5e45b470b0c3b33

0 references

NMRShiftDB structure ID

20199042

1 reference

matched by identifier from

InChIKey

InChIKey

UNEATYXSUBPPKP-UHFFFAOYSA-N

ZVG number

490124

0 references

HSDB ID

5325

1 reference

stated in

Hazardous Substances Data Bank

HSDB ID

5325

publication date

28 October 2019

title

1,3-DIISOPROPYLBENZENE (English)

retrieved

10 May 2021

DSSTox substance ID

DTXSID8026640

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

UNEATYXSUBPPKP-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID006640

0 references

EC number

202-773-1

1 reference

stated in

Global Substance Registration System

UNII

482VXW192E

language of work or name

English

title

1,3-diisopropylbenzene (English)

retrieved

14 October 2016

ECHA Substance Infocard ID

100.002.521

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.002.521

retrieved

27 December 2018

title

1,3-diisopropylbenzene (English)

quotation

CAS no.: 99-62-7 (English)

AICS Chemical ID (BEING DELETED)

2294

0 references

Human Metabolome Database ID

HMDB0013806

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

UNEATYXSUBPPKP-UHFFFAOYSA-N

UNII

482VXW192E

2 references

stated in

Global Substance Registration System

UNII

482VXW192E

language of work or name

English

title

1,3-diisopropylbenzene (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

UNEATYXSUBPPKP-UHFFFAOYSA-N

Google Knowledge Graph ID

/g/11fk09rls9

0 references

J-GLOBAL ID

200907004619912190

0 references

Nikkaji ID

J3.585H

0 references

 

Sitelinks

Wikipedia(3 entries)

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• enwiki 1,3-Diisopropylbenzene
• eowiki 1,3-Duizopropilbenzeno
• kawiki 1,3-დიიზოპროპილბენზოლი

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(0 entries)

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