butyl acetoacetate (Q27255678)

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chemical compound

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Language	Label	Description	Also known as
English	butyl acetoacetate	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

chemical structure

Butyl acetoacetate.svg
352 × 98; 13 KB

0 references

mass

158.094 dalton

1 reference

stated in

PubChem

PubChem CID

11576

language of work or name

English

title

Butyl acetoacetate (English)

retrieved

14 October 2016

chemical formula

C₈H₁₄O₃

1 reference

stated in

PubChem

PubChem CID

11576

language of work or name

English

title

Butyl acetoacetate (English)

retrieved

14 October 2016

canonical SMILES

CCCCOC(=O)CC(=O)C

1 reference

stated in

PubChem

PubChem CID

11576

language of work or name

English

title

Butyl acetoacetate (English)

retrieved

14 October 2016

Identifiers

InChI

InChI=1S/C8H14O3/c1-3-4-5-11-8(10)6-7(2)9/h3-6H2,1-2H3

1 reference

stated in

PubChem

PubChem CID

11576

language of work or name

English

title

Butyl acetoacetate (English)

retrieved

14 October 2016

InChIKey

REIYHFWZISXFKU-UHFFFAOYSA-N

1 reference

stated in

PubChem

PubChem CID

11576

language of work or name

English

title

Butyl acetoacetate (English)

retrieved

14 October 2016

CAS Registry Number

591-60-6

2 references

stated in

Global Substance Registration System

UNII

2W08J7H74O

language of work or name

English

title

butyl acetoacetate (English)

retrieved

14 October 2016

stated in

CAS Common Chemistry

retrieved

5 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=591-60-6

InChIKey

REIYHFWZISXFKU-UHFFFAOYSA-N

ChemSpider ID

11088

1 reference

stated in

ChemSpider

ChemSpider ID

11088

language of work or name

English

title

Butyl 3-oxobutanoate (English)

retrieved

14 October 2016

PubChem CID

11576

2 references

stated in

PubChem

PubChem CID

11576

language of work or name

English

title

Butyl acetoacetate (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

REIYHFWZISXFKU-UHFFFAOYSA-N

ChEBI ID

173676

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C8H14O3/c1-3-4-5-11-8(10)6-7(2)9/h3-6H2,1-2H3

SureChEMBL ID

SCHEMBL241731

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

REIYHFWZISXFKU-UHFFFAOYSA-N

UniChem compound ID

13473493

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP009029

0 references

SPLASH

splash10-0006-9000000000-5e338755179443d54e95

0 references

DSSTox substance ID

DTXSID3060453

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

REIYHFWZISXFKU-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID4042545

0 references

NSC number

97211

0 references

EC number

209-722-2

1 reference

stated in

Global Substance Registration System

UNII

2W08J7H74O

language of work or name

English

title

butyl acetoacetate (English)

retrieved

14 October 2016

ECHA Substance Infocard ID

100.008.840

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.008.840

retrieved

27 December 2018

title

Butyl acetoacetate (English)

quotation

CAS no.: 591-60-6 (English)

FL number

09.403

1 reference

quotation

CAS no.: 591-60-6 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

09.403

AICS Chemical ID (BEING DELETED)

5077

0 references

Human Metabolome Database ID

HMDB0040447

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

REIYHFWZISXFKU-UHFFFAOYSA-N

UNII

2W08J7H74O

2 references

stated in

Global Substance Registration System

UNII

2W08J7H74O

language of work or name

English

title

butyl acetoacetate (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

REIYHFWZISXFKU-UHFFFAOYSA-N

JECFA number

596

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 Butila acetoacetato

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Wiktionary(0 entries)

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Multilingual sites(0 entries)

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