2,3-hexanedione (Q11186388)

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chemical compound

• Methyl propyl diketone
• Methyl propyl glyoxal
• Acetyl butyryl
• FEMA 2558
• Acetylbutyryl
• 2,3-Hexanodione
• Butyryl acetyl
• 2,3-Hexandione

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Language	Label	Description	Also known as
English	2,3-hexanedione	chemical compound	Methyl propyl diketone Methyl propyl glyoxal Acetyl butyryl FEMA 2558 Acetylbutyryl 2,3-Hexanodione Butyryl acetyl 2,3-Hexandione

Statements

instance of

type of chemical entity

0 references

subclass of

biogenic acyclic ketone

0 references

oxygenated hydrocarbon

0 references

chemical structure

2,3-hexanedione.PNG
306 × 214; 3 KB

0 references

mass

114.068±0 dalton

1 reference

stated in

PubChem

PubChem CID

19707

language of work or name

English

title

2,3-HEXANEDIONE (English)

retrieved

9 October 2016

chemical formula

C₆H₁₀O₂

1 reference

stated in

PubChem

PubChem CID

19707

language of work or name

English

title

2,3-HEXANEDIONE (English)

retrieved

19 November 2016

canonical SMILES

CCCC(=O)C(=O)C

1 reference

stated in

PubChem

PubChem CID

19707

language of work or name

English

title

2,3-HEXANEDIONE (English)

retrieved

19 November 2016

melting point

−30.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

found in taxon

Corynebacterium glutamicum

1 reference

stated in

Pyrazine Biosynthesis in Corynebacterium glutamicum

Myrtus communis L.

1 reference

stated in

Comparison of headspace solid-phase microextraction, headspace single-drop microextraction and hydrodistillation for chemical screening of volatiles in Myrtus communis L.

Commons category

Hexane-2,3-dione

0 references

Identifiers

InChI

InChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4H2,1-2H3

1 reference

stated in

PubChem

PubChem CID

19707

language of work or name

English

title

2,3-HEXANEDIONE (English)

retrieved

19 November 2016

InChIKey

MWVFCEVNXHTDNF-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

19707

language of work or name

English

title

2,3-HEXANEDIONE (English)

retrieved

19 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

3848-24-6

2 references

stated in

Global Substance Registration System

UNII

559ANR3NVS

language of work or name

English

title

2,3-hexanedione (English)

retrieved

19 November 2016

stated in

CAS Common Chemistry

retrieved

7 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=3848-24-6

InChIKey

MWVFCEVNXHTDNF-UHFFFAOYSA-N

ChemSpider ID

18563

1 reference

stated in

ChemSpider

ChemSpider ID

18563

language of work or name

English

title

hexanedione (English)

retrieved

19 November 2016

PubChem CID

19707

2 references

stated in

PubChem

PubChem CID

19707

language of work or name

English

title

2,3-HEXANEDIONE (English)

retrieved

19 November 2016

matched by identifier from

InChIKey

InChIKey

MWVFCEVNXHTDNF-UHFFFAOYSA-N

Reaxys registry number

1699896

1 reference

stated in

ChEBI

ChEBI ID

87583

language of work or name

English

title

hexane-2,3-dione (English)

retrieved

9 October 2016

ChEBI ID

87583

mapping relation type

exact match

2 references

stated in

ChEMBL

ChEMBL ID

CHEMBL3187497

language of work or name

English

title

CHEMBL3187497 (English)

retrieved

19 November 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4H2,1-2H3

ChEMBL ID

CHEMBL3187497

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL3187497

language of work or name

English

title

CHEMBL3187497 (English)

retrieved

19 November 2016

SureChEMBL ID

SCHEMBL108066

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

MWVFCEVNXHTDNF-UHFFFAOYSA-N

UniChem compound ID

12117100

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP006943

0 references

SPLASH

splash10-0006-9000000000-834d76c0fa32b0bcd9c1

0 references

CAMEO Chemicals ID

20480

0 references

ZVG number

494455

0 references

DSSTox substance ID

DTXSID2047066

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

MWVFCEVNXHTDNF-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID0027066

0 references

NSC number

31665

0 references

EC number

223-350-8

1 reference

stated in

Global Substance Registration System

UNII

559ANR3NVS

language of work or name

English

title

2,3-hexanedione (English)

retrieved

19 November 2016

ECHA Substance Infocard ID

100.021.229

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.021.229

retrieved

27 December 2018

title

Hexane-2,3-dione (English)

quotation

CAS no.: 3848-24-6 (English)

CosIng number

40799

1 reference

stated in

CosIng database

CosIng number

40799

retrieved

28 December 2019

title

METHYL PROPYL DIKETONE (English)

quotation

CAS no.: 3848-24-6 (English)

AICS Chemical ID (BEING DELETED)

8382

0 references

Human Metabolome Database ID

HMDB0031491

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

MWVFCEVNXHTDNF-UHFFFAOYSA-N

KNApSAcK ID

C00061668

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

MWVFCEVNXHTDNF-UHFFFAOYSA-N

UNII

559ANR3NVS

2 references

stated in

Global Substance Registration System

UNII

559ANR3NVS

language of work or name

English

title

2,3-hexanedione (English)

retrieved

19 November 2016

matched by identifier from

InChIKey

InChIKey

MWVFCEVNXHTDNF-UHFFFAOYSA-N

LIPID MAPS ID

LMFA12000247

1 reference

stated in

LIPID MAPS

reference URL

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

30 June 2018

Google Knowledge Graph ID

/g/122xfc9z

0 references

JECFA database ID

3232

0 references

JECFA number

412

1 reference

stated in

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

retrieved

26 November 2021

 

Sitelinks

Wikipedia(2 entries)

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• dewiki 2,3-Hexandion
• jawiki 2,3-ヘキサンジオン

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:Hexane-2,3-dione

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