3-Methyl-1,2-butadiene (Q24711948)

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human metabolite

• 1,1-Dimethylallene

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Language	Label	Description	Also known as
English	3-Methyl-1,2-butadiene	human metabolite	1,1-Dimethylallene

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

part of

smoke

part of

cigarette

1 reference

reference URL

http://www.ncbi.nlm.nih.gov/pubmed/24251584

stated in

Q24756592

chemical structure

3-Methyl-1,2-butadiene.svg
117 × 75; 12 KB

0 references

mass

68.0626±0 dalton

1 reference

stated in

PubChem

PubChem CID

11714

language of work or name

English

title

3-METHYL-1,2-BUTADIENE (English)

retrieved

19 September 2016

chemical formula

C₅H₈

1 reference

stated in

PubChem

PubChem CID

11714

language of work or name

English

title

3-METHYL-1,2-BUTADIENE (English)

retrieved

19 September 2016

canonical SMILES

CC(=C=C)C

1 reference

stated in

PubChem

PubChem CID

11714

language of work or name

English

title

3-METHYL-1,2-BUTADIENE (English)

retrieved

19 September 2016

melting point

−114.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

subject has role

metabolite

found in taxon

Homo sapiens

0 references

Identifiers

InChI

InChI=1S/C5H8/c1-4-5(2)3/h1H2,2-3H3

1 reference

stated in

PubChem

PubChem CID

11714

language of work or name

English

title

3-METHYL-1,2-BUTADIENE (English)

retrieved

19 September 2016

InChIKey

PAKGDPSCXSUALC-UHFFFAOYSA-N

1 reference

stated in

PubChem

PubChem CID

11714

language of work or name

English

title

3-METHYL-1,2-BUTADIENE (English)

retrieved

19 September 2016

CAS Registry Number

598-25-4

1 reference

InChIKey

PAKGDPSCXSUALC-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

10 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=598-25-4

ChemSpider ID

11222

1 reference

stated in

ChemSpider

ChemSpider ID

11222

language of work or name

English

title

1,1-dimethylallene (English)

retrieved

19 September 2016

PubChem CID

11714

1 reference

stated in

PubChem

PubChem CID

11714

language of work or name

English

title

3-METHYL-1,2-BUTADIENE (English)

retrieved

19 September 2016

UniChem compound ID

8478462

1 reference

stated in

UniChem

DSSTox substance ID

DTXSID00208529

1 reference

stated in

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

DSSTOX compound identifier

DTXCID00131020

0 references

NSC number

74117

0 references

EC number

209-926-1

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.009.025

retrieved

27 December 2018

title

3-methylbuta-1,2-diene (English)

quotation

CAS no.: 598-25-4 (English)

ECHA Substance Infocard ID

100.009.025

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.009.025

retrieved

27 December 2018

title

3-methylbuta-1,2-diene (English)

quotation

CAS no.: 598-25-4 (English)

UNII

NQO612O389

1 reference

matched by identifier from

InChIKey

InChIKey

PAKGDPSCXSUALC-UHFFFAOYSA-N

Google Knowledge Graph ID

/g/11fz1fcjxk

0 references

 

Sitelinks

Wikipedia(2 entries)

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• dewiki 3-Methyl-1,2-butadien
• elwiki Μεθυλο-1,2-βουταδιένιο

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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