furfuryl butyrate (Q63408969)

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chemical compound

• furfuryl butanoate

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Language	Label	Description	Also known as
English	furfuryl butyrate	chemical compound	furfuryl butanoate

Statements

instance of

type of chemical entity

0 references

subclass of

wax monoester

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chemical structure

Furfuryl butyrate.svg
318 × 135; 11 KB

0 references

mass

168.078644244 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₉H₁₂O₃

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canonical SMILES

CCCC(=O)OCC1=CC=CO1

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found in taxon

liquorice

1 reference

stated in

Volatile flavor components of licorice

Identifiers

InChI

InChI=1S/C9H12O3/c1-2-4-9(10)12-7-8-5-3-6-11-8/h3,5-6H,2,4,7H2,1H3

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InChIKey

IXISGRHWGVGCAK-UHFFFAOYSA-N

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CAS Registry Number

623-21-2

1 reference

stated in

CAS Common Chemistry

retrieved

7 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=623-21-2

InChIKey

IXISGRHWGVGCAK-UHFFFAOYSA-N

PubChem CID

61167

1 reference

matched by identifier from

InChIKey

InChIKey

IXISGRHWGVGCAK-UHFFFAOYSA-N

ChEBI ID

168839

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C9H12O3/c1-2-4-9(10)12-7-8-5-3-6-11-8/h3,5-6H,2,4,7H2,1H3

SureChEMBL ID

SCHEMBL1532561

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

IXISGRHWGVGCAK-UHFFFAOYSA-N

UniChem compound ID

16976187

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP006414

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP007748

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DSSTox substance ID

DTXSID60211357

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

IXISGRHWGVGCAK-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID60133848

0 references

NSC number

35555

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FL number

13.130

1 reference

quotation

CAS no.: 623-21-2 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

13.130

AICS Chemical ID (BEING DELETED)

5361

0 references

Human Metabolome Database ID

HMDB0037729

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

IXISGRHWGVGCAK-UHFFFAOYSA-N

LIPID MAPS ID

LMFA07010714

1 reference

stated in

LIPID MAPS

reference URL

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

retrieved

30 June 2018

JECFA number

759

1 reference

stated in

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

retrieved

13 May 2021

 

Sitelinks

Wikipedia(1 entry)

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• eowiki Furfurila buterato

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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