dibutyl sulfide (Q11309564)

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chemical compound

• Dibthyl sulfide

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Language	Label	Description	Also known as
English	dibutyl sulfide	chemical compound	Dibthyl sulfide

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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chemical structure

Dibutylsulfid.svg
569 × 68; 8 KB

0 references

mass

146.113±0 dalton

1 reference

stated in

PubChem

PubChem CID

11002

language of work or name

English

title

Dibutyl sulfide (English)

retrieved

14 October 2016

chemical formula

C₈H₁₈S

1 reference

stated in

PubChem

PubChem CID

11002

language of work or name

English

title

Dibutyl sulfide (English)

retrieved

14 October 2016

canonical SMILES

CCCCSCCCC

1 reference

stated in

PubChem

PubChem CID

11002

language of work or name

English

title

Dibutyl sulfide (English)

retrieved

14 October 2016

ionization energy

8.20 electronvolt

series ordinal

1

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

melting point

−80.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

−75.0 degree Celsius

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

boiling point

188.9 degree Celsius

under pressure

101.325 kilopascal

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

has part(s)

carbon

0 references

hydrogen

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sulfur

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Identifiers

InChI

InChI=1S/C8H18S/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3

1 reference

stated in

PubChem

PubChem CID

11002

language of work or name

English

title

Dibutyl sulfide (English)

retrieved

14 October 2016

InChIKey

HTIRHQRTDBPHNZ-UHFFFAOYSA-N

1 reference

stated in

PubChem

PubChem CID

11002

language of work or name

English

title

Dibutyl sulfide (English)

retrieved

14 October 2016

CAS Registry Number

544-40-1

2 references

stated in

Global Substance Registration System

UNII

3E3H471GA3

language of work or name

English

title

dibutyl sulfide (English)

retrieved

14 October 2016

InChIKey

HTIRHQRTDBPHNZ-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=544-40-1

ChemSpider ID

10536

1 reference

stated in

ChemSpider

ChemSpider ID

10536

language of work or name

English

title

Dibutyl sulfide (English)

retrieved

14 October 2016

PubChem CID

11002

2 references

stated in

PubChem

PubChem CID

11002

language of work or name

English

title

Dibutyl sulfide (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

HTIRHQRTDBPHNZ-UHFFFAOYSA-N

ChEBI ID

169705

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C8H18S/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3

ChEMBL ID

CHEMBL3561568

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL3561568

language of work or name

English

title

CHEMBL3561568 (English)

retrieved

14 October 2016

SureChEMBL ID

SCHEMBL21882

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

HTIRHQRTDBPHNZ-UHFFFAOYSA-N

UniChem compound ID

10786695

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP009128

0 references

SPLASH

splash10-0bvi-9000000000-85df5bd2cd49cd3fbdd7

0 references

NMRShiftDB structure ID

10016679

1 reference

matched by identifier from

InChIKey

InChIKey

HTIRHQRTDBPHNZ-UHFFFAOYSA-N

ZVG number

491182

0 references

DSSTox substance ID

DTXSID6022058

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

HTIRHQRTDBPHNZ-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID902058

0 references

NSC number

8460

0 references

EC number

208-870-5

1 reference

stated in

Global Substance Registration System

UNII

3E3H471GA3

language of work or name

English

title

dibutyl sulfide (English)

retrieved

14 October 2016

ECHA Substance Infocard ID

100.008.064

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.008.064

retrieved

27 December 2018

title

Dibutyl sulphide (English)

quotation

CAS no.: 544-40-1 (English)

FL number

12.007

1 reference

quotation

CAS no.: 544-40-1 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

12.007

CosIng number

39525

1 reference

stated in

CosIng database

CosIng number

39525

retrieved

28 December 2019

title

DIBUTYL SULPHIDE (English)

quotation

CAS no.: 544-40-1 (English)

PesticideInfo chemical ID

PRI2570

0 references

AICS Chemical ID (BEING DELETED)

4806

0 references

Human Metabolome Database ID

HMDB0031660

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

HTIRHQRTDBPHNZ-UHFFFAOYSA-N

UNII

3E3H471GA3

2 references

stated in

Global Substance Registration System

UNII

3E3H471GA3

language of work or name

English

title

dibutyl sulfide (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

HTIRHQRTDBPHNZ-UHFFFAOYSA-N

Google Knowledge Graph ID

/g/120lwjgj

0 references

JECFA database ID

3956

0 references

JECFA number

455

1 reference

stated in

Evaluations of the Joint FAO/WHO Expert Committee on Food Additives (JECFA)

retrieved

13 May 2021

 

Sitelinks

Wikipedia(3 entries)

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• dewiki Dibutylsulfid
• eowiki Butila sulfido
• jawiki ジブチルスルフィド

Wikibooks(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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