ethyl acetoacetate (Q47192)

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chemical compound

• Ethyl acetoacetate
• 3-ketobutyric acid ethyl ester
• ethyl 3-oxidanylidenebutanoate
• 3-oxobutanoic acid ethyl ester
• ethyl 3-oxobutanoate
• EAA

edit

Language	Label	Description	Also known as
English	ethyl acetoacetate	chemical compound	Ethyl acetoacetate 3-ketobutyric acid ethyl ester ethyl 3-oxidanylidenebutanoate 3-oxobutanoic acid ethyl ester ethyl 3-oxobutanoate EAA

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

chemical structure

Ethyl acetoacetate-Structural Formula V.1.svg
443 × 143; 14 KB

1 reference

imported from Wikimedia project

German Wikipedia

mass

130.063 dalton

1 reference

stated in

PubChem

PubChem CID

8868

language of work or name

English

title

ethyl acetoacetate (English)

retrieved

19 October 2016

chemical formula

C₆H₁₀O₃

1 reference

stated in

PubChem

PubChem CID

8868

language of work or name

English

title

ethyl acetoacetate (English)

retrieved

19 November 2016

canonical SMILES

CCOC(=O)CC(=O)C

1 reference

stated in

PubChem

PubChem CID

8868

language of work or name

English

title

ethyl acetoacetate (English)

retrieved

19 November 2016

melting point

−43.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

−45 degree Celsius

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

boiling point

180.8 degree Celsius

under pressure

101.325 kilopascal

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

safety classification and labelling

NFPA 704: Standard System for the Identification of the Hazards of Materials for Emergency Response

NFPA Health

0

NFPA Fire

2

NFPA Instability

0

NFPA Special

no value

1 reference

reference URL

https://www.sigmaaldrich.com/MSDS/MSDS/DisplayMSDSPage.do?country=US&language=en&productNumber=00410&brand=SIAL&PageToGoToURL=https%3A%2F%2Fwww.sigmaaldrich.com%2Fcatalog%2Fproduct%2Fsial%2F00410%3Flang%3Dpl

publisher

Sigma-Aldrich

point in time

21 September 2017

retrieved

4 July 2018

language of work or name

English

title

Ethyl acetoacetate (English)

found in taxon

Mangifera indica

1 reference

stated in

Volatile components from mango (Mangifera indica L.) cultivars

described by source

Brockhaus and Efron Encyclopedic Dictionary

statement is subject of

Q24335874

0 references

Encyclopædia Britannica 11th edition

statement is subject of

1911 Encyclopædia Britannica/Aceto-Acetic Ester

0 references

has part(s)

oxygen

0 references

carbon

0 references

hydrogen

0 references

Commons category

Ethyl acetoacetate

0 references

Identifiers

J9U ID

987007290697905171

1 reference

stated in

National Library of Israel Names and Subjects Authority File

Library of Congress authority ID

sh00000075

0 references

InChI

InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3

1 reference

stated in

PubChem

PubChem CID

8868

language of work or name

English

title

ethyl acetoacetate (English)

retrieved

19 November 2016

InChIKey

XYIBRDXRRQCHLP-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

8868

language of work or name

English

title

ethyl acetoacetate (English)

retrieved

19 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

141-97-9

2 references

stated in

Global Substance Registration System

UNII

IZP61H3TB1

language of work or name

English

title

ethyl acetoacetate (English)

retrieved

19 November 2016

stated in

CAS Common Chemistry

retrieved

7 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=141-97-9

InChIKey

XYIBRDXRRQCHLP-UHFFFAOYSA-N

ChemSpider ID

13865426

1 reference

stated in

ChemSpider

ChemSpider ID

13865426

language of work or name

English

title

Ethyl acetoacetate (English)

retrieved

19 November 2016

PubChem CID

8868

2 references

stated in

PubChem

PubChem CID

8868

language of work or name

English

title

ethyl acetoacetate (English)

retrieved

19 November 2016

matched by identifier from

InChIKey

InChIKey

XYIBRDXRRQCHLP-UHFFFAOYSA-N

ChEBI ID

4893

mapping relation type

exact match

2 references

stated in

ChEMBL

ChEMBL ID

CHEMBL169176

language of work or name

English

title

CHEMBL169176 (English)

retrieved

19 November 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3

ChEMBL ID

CHEMBL169176

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL169176

language of work or name

English

title

CHEMBL169176 (English)

retrieved

19 November 2016

SureChEMBL ID

SCHEMBL15500

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

XYIBRDXRRQCHLP-UHFFFAOYSA-N

UniChem compound ID

463277

1 reference

stated in

UniChem

BMRB ID

bmse000944

1 reference

stated in

Biological Magnetic Resonance Data Bank

BMRB ID

bmse000944

language of work or name

English

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP002575

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP005909

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP005974

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP009028

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP005422

0 references

SPLASH

splash10-0006-9000000000-f40d68840be65d2cc6bd

0 references

splash10-000f-9000000000-aad3ec5cf145a6891816

0 references

splash10-000i-9200000000-d0f54fdbaded925d3619

0 references

splash10-0006-9000000000-4a1188d69a9a3efd5ef8

0 references

NMRShiftDB structure ID

10016867

1 reference

matched by identifier from

InChIKey

InChIKey

XYIBRDXRRQCHLP-UHFFFAOYSA-N

ICSC ID

1024

0 references

CAMEO Chemicals ID

8629

0 references

RTECS number

AK5250000

1 reference

imported from Wikimedia project

Russian Wikipedia

ZVG number

10400

0 references

HSDB ID

402

1 reference

stated in

Hazardous Substances Data Bank

HSDB ID

402

publication date

28 October 2019

title

ETHYL ACETOACETATE (English)

retrieved

10 May 2021

DSSTox substance ID

DTXSID2027092

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

XYIBRDXRRQCHLP-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID207092

0 references

NSC number

8657

0 references

EC number

205-516-1

1 reference

stated in

Global Substance Registration System

UNII

IZP61H3TB1

language of work or name

English

title

ethyl acetoacetate (English)

retrieved

19 November 2016

ECHA Substance Infocard ID

100.005.015

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.005.015

retrieved

27 December 2018

title

Ethyl acetoacetate (English)

quotation

CAS no.: 141-97-9 (English)

FL number

09.402

1 reference

quotation

CAS no.: 141-97-9 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

09.402

CosIng number

39821

1 reference

stated in

CosIng database

CosIng number

39821

retrieved

28 December 2019

title

ETHYL ACETOACETATE (English)

quotation

CAS no.: 141-97-9 (English)

RxNorm ID

1603474

1 reference

stated in

Global Substance Registration System

UNII

IZP61H3TB1

language of work or name

English

title

ethyl acetoacetate (English)

retrieved

19 November 2016

Human Metabolome Database ID

HMDB0031216

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

XYIBRDXRRQCHLP-UHFFFAOYSA-N

KNApSAcK ID

C00059876

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

XYIBRDXRRQCHLP-UHFFFAOYSA-N

UNII

IZP61H3TB1

2 references

stated in

Global Substance Registration System

UNII

IZP61H3TB1

language of work or name

English

title

ethyl acetoacetate (English)

retrieved

19 November 2016

matched by identifier from

InChIKey

InChIKey

XYIBRDXRRQCHLP-UHFFFAOYSA-N

Probes And Drugs ID

PD098365

0 references

KEGG ID

C03500

1 reference

stated in

ChEBI

ChEBI ID

4893

language of work or name

English

title

Ethyl 3-oxobutanoate (English)

retrieved

19 October 2016

PDB ligand ID

EAC

0 references

Lex ID

aceteddikesyreethylester

0 references

Encyclopædia Britannica Online ID

science/ethyl-acetoacetate

subject named as

ethyl acetoacetate

author name string

William H. Brown

0 references

Encyclopedia of China (Third Edition) ID

157279

0 references

Freebase ID

/m/07_8bg

1 reference

stated in

Freebase Data Dumps

publication date

28 October 2013

Great Encyclopedia of Cyril and Methodius entry ID

Ацетоуксусный эфир

0 references

Great Russian Encyclopedia Online ID (old version)

1842980

subject named as

АЦЕТОУКСУСНЫЙ ЭФИР

0 references

JECFA number

595

1 reference

stated in

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

retrieved

13 May 2021

KBpedia ID

EthylAcetoacetate

1 reference

stated in

KBpedia

retrieved

9 July 2020

Microsoft Academic ID

2776308844

0 references

OpenAlex ID

C2776308844

1 reference

stated in

OpenAlex

retrieved

26 January 2022

reference URL

https://docs.openalex.org/download-snapshot/snapshot-data-format

PDB structure ID

4GBG

1 reference

stated in

Protein Data Bank

PDB structure ID

4GBG

language of work or name

English

title

4GBG (English)

retrieved

19 October 2016

4N8S

1 reference

stated in

Protein Data Bank

PDB structure ID

4N8S

language of work or name

English

title

4N8S (English)

retrieved

19 October 2016

 

Sitelinks

Wikipedia(24 entries)

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• arwiki أسيتو أسيتات الإيثيل
• azbwiki اتیل استواستات
• cawiki 3-oxobutanoat d'etil
• cswiki Ethyl-acetacetát
• dewiki Acetessigester
• enwiki Ethyl acetoacetate
• eowiki Etila aceto-acetato
• eswiki Acetoacetato de etilo
• fawiki اتیل استواستات
• fiwiki Etyyliasetoasetaatti
• frwiki Acétoacétate d'éthyle
• jawiki アセト酢酸エチル
• ltwiki Acetilacto rūgšties etilo esteris
• nlwiki Ethylacetoacetaat
• plwiki Acetylooctan etylu
• ptwiki Acetoacetato de etila
• ruwiki Ацетоуксусный эфир
• shwiki Etil acetoacetat
• skwiki Acetoctan etylový
• slwiki Etil acetoacetat
• srwiki Etil acetoacetat
• tawiki எத்தில் அசிட்டோ அசிட்டேட்டு
• ukwiki Ацетооцтовий естер
• zhwiki 乙酰乙酸乙酯

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:Ethyl acetoacetate

Retrieved from "https://www.wikidata.org/w/index.php?title=Q47192&oldid=2255827866"