2-methyltetrahydrofuran-3-one (Q3885889)

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chemical compound

• coffee furanone

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Language	Label	Description	Also known as
English	2-methyltetrahydrofuran-3-one	chemical compound	coffee furanone

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

chemical structure

Coffee furanone.svg
512 × 616; 7 KB

0 references

mass

100.052 dalton

1 reference

stated in

PubChem

PubChem CID

18522

language of work or name

English

title

2-METHYLTETRAHYDROFURAN-3-ONE (English)

retrieved

14 October 2016

chemical formula

C₅H₈O₂

1 reference

stated in

PubChem

PubChem CID

18522

language of work or name

English

title

2-METHYLTETRAHYDROFURAN-3-ONE (English)

retrieved

14 October 2016

canonical SMILES

CC1C(=O)CCO1

1 reference

stated in

PubChem

PubChem CID

18522

language of work or name

English

title

2-METHYLTETRAHYDROFURAN-3-ONE (English)

retrieved

14 October 2016

found in taxon

Aloe africana

1 reference

stated in

Aloe exudate: characterization by reversed phase HPLC and headspace GC-MS.

Mangifera indica

1 reference

stated in

Volatile components from mango (Mangifera indica L.) cultivars

Nicotiana tabacum

2 references

stated in

Comparison of different extraction methods: steam distillation, simultaneous distillation and extraction and headspace co-distillation, used for the analysis of the volatile components in aged flue-cured tobacco leaves

stated in

Extraction of essential oil from discarded tobacco leaves by solvent extraction and steam distillation, and identification of its chemical composition

Identifiers

InChI

InChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3

1 reference

stated in

PubChem

PubChem CID

18522

language of work or name

English

title

2-METHYLTETRAHYDROFURAN-3-ONE (English)

retrieved

14 October 2016

InChIKey

FCWYQRVIQDNGBI-UHFFFAOYSA-N

1 reference

stated in

PubChem

PubChem CID

18522

language of work or name

English

title

2-METHYLTETRAHYDROFURAN-3-ONE (English)

retrieved

14 October 2016

CAS Registry Number

3188-00-9

2 references

stated in

Global Substance Registration System

UNII

I3703CL967

language of work or name

English

title

2-methyltetrahydrofuran-3-one (English)

retrieved

14 October 2016

InChIKey

FCWYQRVIQDNGBI-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=3188-00-9

ChemSpider ID

17494

1 reference

stated in

ChemSpider

ChemSpider ID

17494

language of work or name

English

title

2-Methyl tetrahydrofuran-3-one (English)

retrieved

14 October 2016

PubChem CID

18522

2 references

stated in

PubChem

PubChem CID

18522

language of work or name

English

title

2-METHYLTETRAHYDROFURAN-3-ONE (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

FCWYQRVIQDNGBI-UHFFFAOYSA-N

ChEBI ID

173339

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3

ChEMBL ID

CHEMBL3188615

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL3188615

language of work or name

English

title

CHEMBL3188615 (English)

retrieved

14 October 2016

UniChem compound ID

23236013

1 reference

stated in

UniChem

NMRShiftDB structure ID

20208927

1 reference

matched by identifier from

InChIKey

InChIKey

FCWYQRVIQDNGBI-UHFFFAOYSA-N

ZVG number

114373

0 references

DSSTox substance ID

DTXSID9047677

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

FCWYQRVIQDNGBI-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID7027677

0 references

EC number

221-685-4

1 reference

stated in

Global Substance Registration System

UNII

I3703CL967

language of work or name

English

title

2-methyltetrahydrofuran-3-one (English)

retrieved

14 October 2016

ECHA Substance Infocard ID

100.019.715

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.019.715

retrieved

27 December 2018

title

2-methyltetrahydrofuran-3-one (English)

quotation

CAS no.: 3188-00-9 (English)

FL number

13.042

1 reference

quotation

CAS no.: 3188-00-9 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

13.042

AICS Chemical ID (BEING DELETED)

8021

0 references

Human Metabolome Database ID

HMDB0031178

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

FCWYQRVIQDNGBI-UHFFFAOYSA-N

KNApSAcK ID

C00061401

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

FCWYQRVIQDNGBI-UHFFFAOYSA-N

UNII

I3703CL967

2 references

stated in

Global Substance Registration System

UNII

I3703CL967

language of work or name

English

title

2-methyltetrahydrofuran-3-one (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

FCWYQRVIQDNGBI-UHFFFAOYSA-N

Probes And Drugs ID

PD124016

0 references

Freebase ID

/m/0hr21pr

0 references

JECFA number

1448

1 reference

stated in

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

retrieved

13 May 2021

 

Sitelinks

Wikipedia(6 entries)

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• azbwiki کافی فورانن
• enwiki Coffee furanone
• fawiki کافی فورانن
• jawiki コーヒーフラノン
• shwiki 2-Metiltetrahidrofuran-3-on
• srwiki 2-Metiltetrahidrofuran-3-on

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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