isobutyl acetoacetate (Q27262211)

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chemical compound

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Language	Label	Description	Also known as
English	isobutyl acetoacetate	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

chemical structure

Isobutyl-acetoacetate.png
1,365 × 675; 18 KB

0 references

mass

158.094±0 dalton

1 reference

stated in

PubChem

PubChem CID

522677

language of work or name

English

title

Isobutyl acetoacetate (English)

retrieved

14 October 2016

chemical formula

C₈H₁₄O₃

1 reference

stated in

PubChem

PubChem CID

522677

language of work or name

English

title

Isobutyl acetoacetate (English)

retrieved

14 October 2016

canonical SMILES

CC(C)COC(=O)CC(=O)C

1 reference

stated in

PubChem

PubChem CID

522677

language of work or name

English

title

Isobutyl acetoacetate (English)

retrieved

14 October 2016

Identifiers

InChI

InChI=1S/C8H14O3/c1-6(2)5-11-8(10)4-7(3)9/h6H,4-5H2,1-3H3

1 reference

stated in

PubChem

PubChem CID

522677

language of work or name

English

title

Isobutyl acetoacetate (English)

retrieved

14 October 2016

InChIKey

ZYXNLVMBIHVDRH-UHFFFAOYSA-N

1 reference

stated in

PubChem

PubChem CID

522677

language of work or name

English

title

Isobutyl acetoacetate (English)

retrieved

14 October 2016

CAS Registry Number

7779-75-1

2 references

stated in

Global Substance Registration System

UNII

5HI9DAL68Z

language of work or name

English

title

isobutyl acetoacetate (English)

retrieved

14 October 2016

InChIKey

ZYXNLVMBIHVDRH-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=7779-75-1

ChemSpider ID

21105926

1 reference

stated in

ChemSpider

ChemSpider ID

21105926

language of work or name

English

title

Isobutyl 3-oxobutanoate (English)

retrieved

14 October 2016

PubChem CID

522677

2 references

stated in

PubChem

PubChem CID

522677

language of work or name

English

title

Isobutyl acetoacetate (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

ZYXNLVMBIHVDRH-UHFFFAOYSA-N

ChEBI ID

173674

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/c1-6(2)5-11-8(10)4-7(3)9/h6H,4-5H2,1-3H3

SureChEMBL ID

SCHEMBL472554

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

ZYXNLVMBIHVDRH-UHFFFAOYSA-N

UniChem compound ID

2829769

1 reference

stated in

UniChem

NMRShiftDB structure ID

20200848

1 reference

matched by identifier from

InChIKey

InChIKey

ZYXNLVMBIHVDRH-UHFFFAOYSA-N

DSSTox substance ID

DTXSID3064805

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

ZYXNLVMBIHVDRH-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID0048004

0 references

EC number

231-937-5

1 reference

stated in

Global Substance Registration System

UNII

5HI9DAL68Z

language of work or name

English

title

isobutyl acetoacetate (English)

retrieved

14 October 2016

ECHA Substance Infocard ID

100.029.033

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.029.033

retrieved

27 December 2018

title

Isobutyl acetoacetate (English)

quotation

CAS no.: 7779-75-1 (English)

FL number

09.404

1 reference

quotation

CAS no.: 7779-75-1 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

09.404

AICS Chemical ID (BEING DELETED)

11363

0 references

Human Metabolome Database ID

HMDB0036395

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

ZYXNLVMBIHVDRH-UHFFFAOYSA-N

UNII

5HI9DAL68Z

2 references

stated in

Global Substance Registration System

UNII

5HI9DAL68Z

language of work or name

English

title

isobutyl acetoacetate (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

ZYXNLVMBIHVDRH-UHFFFAOYSA-N

JECFA number

597

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 Izobutila acetoacetato

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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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