ethyl isobutyrate (Q27159510)

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chemical compound

• isobutyric acid ethyl ester
• ethyl 2,2-dimethylacetate

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Language	Label	Description	Also known as
English	ethyl isobutyrate	chemical compound	isobutyric acid ethyl ester ethyl 2,2-dimethylacetate

Statements

instance of

type of chemical entity

0 references

subclass of

biogenic acyclic ester

0 references

wax monoester

0 references

chemical structure

Isobuttersäureethylester.svg
302 × 146; 17 KB

0 references

mass

116.084±0 dalton

1 reference

stated in

PubChem

PubChem CID

7342

language of work or name

English

title

97-62-1 (English)

retrieved

9 October 2016

chemical formula

C₆H₁₂O₂

1 reference

stated in

PubChem

PubChem CID

7342

language of work or name

English

title

97-62-1 (English)

retrieved

9 October 2016

canonical SMILES

CCOC(=O)C(C)C

1 reference

stated in

PubChem

PubChem CID

7342

language of work or name

English

title

97-62-1 (English)

retrieved

9 October 2016

melting point

−88.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

−88.2 degree Celsius

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

boiling point

110.1 degree Celsius

under pressure

101.325 kilopascal

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

found in taxon

Heracleum dissectum

1 reference

stated in

The essential oil in lamina and petiole of Heracleum dissectum leaves

Humulus lupulus

2 references

stated in

Comparison of the most odor-active compounds in fresh and dried hop cones (Humulus lupulus L. variety spalter select) based on GC-olfactometry and odor dilution techniques

stated in

Characterization of Key Aroma Compounds in Pellets of Different Hop Varieties (Humulus lupulus L.) by Means of the Sensomics Approach

Vaccinium angustifolium

1 reference

stated in

Volatiles of wild blueberry, Vaccinium angustifolium: possible attractants for the blueberry maggot fruit fly, Rhagoletis mendax

Streptomyces

1 reference

stated in

Control of fungal decay of apples and peaches by the biofumigant fungus Muscodor albus

Mangifera indica

2 references

stated in

Volatile components from mango (Mangifera indica L.) cultivars

stated in

Aroma Volatile Constituents of Brazilian Varieties of Mango Fruit

Carica papaya

1 reference

stated in

Volatile components of papaya (Carica papaya L., Solo variety)

Commons category

Ethyl isobutyrate

0 references

Identifiers

InChI

InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3

1 reference

stated in

PubChem

PubChem CID

7342

language of work or name

English

title

97-62-1 (English)

retrieved

9 October 2016

InChIKey

WDAXFOBOLVPGLV-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

7342

language of work or name

English

title

97-62-1 (English)

retrieved

9 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

97-62-1

2 references

stated in

ChEBI

ChEBI ID

87303

language of work or name

English

title

ethyl isobutyrate (English)

retrieved

9 October 2016

InChIKey

WDAXFOBOLVPGLV-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

8 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=97-62-1

ChemSpider ID

7065

1 reference

stated in

ChemSpider

ChemSpider ID

7065

language of work or name

English

title

Ethyl isobutyrate (English)

retrieved

9 October 2016

PubChem CID

7342

1 reference

stated in

PubChem

PubChem CID

7342

language of work or name

English

title

97-62-1 (English)

retrieved

9 October 2016

Reaxys registry number

773846

1 reference

stated in

ChEBI

ChEBI ID

87303

language of work or name

English

title

ethyl isobutyrate (English)

retrieved

9 October 2016

ChEBI ID

87303

mapping relation type

exact match

1 reference

stated in

ChEBI

ChEBI ID

87303

language of work or name

English

title

ethyl isobutyrate (English)

retrieved

9 October 2016

ChEMBL ID

CHEMBL295870

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL295870

language of work or name

English

title

ISOBUTYRIC ACID ETHYL ESTER (English)

retrieved

9 October 2016

UniChem compound ID

543439

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP002555

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP005912

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP005978

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP006964

0 references

SPLASH

splash10-0006-9000000000-cda38c45f8e8f3e49d4f

0 references

splash10-00dr-9100000000-16a5b597c42a23d7f22b

0 references

splash10-002f-9000000000-a2cde32043924be5f69d

0 references

CAMEO Chemicals ID

3430

0 references

ZVG number

510503

0 references

DSSTox substance ID

DTXSID7047728

1 reference

stated in

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

DSSTOX compound identifier

DTXCID6027717

0 references

NSC number

97194

0 references

EC number

202-595-4

1 reference

stated in

Global Substance Registration System

UNII

9A9661LN4H

language of work or name

English

title

ETHYL ISOBUTYRATE (English)

retrieved

9 October 2016

ECHA Substance Infocard ID

100.002.361

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.002.361

retrieved

27 December 2018

title

Ethyl isobutyrate (English)

quotation

CAS no.: 97-62-1 (English)

FL number

09.413

1 reference

quotation

CAS no.: 97-62-1 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

09.413

CosIng number

39887

1 reference

stated in

CosIng database

CosIng number

39887

retrieved

28 December 2019

title

ETHYL ISOBUTYRATE (English)

quotation

CAS no.: 97-62-1 (English)

AICS Chemical ID (BEING DELETED)

1953

0 references

Human Metabolome Database ID

HMDB0031248

0 references

UNII

9A9661LN4H

1 reference

stated in

Global Substance Registration System

UNII

9A9661LN4H

language of work or name

English

title

ETHYL ISOBUTYRATE (English)

retrieved

9 October 2016

LIPID MAPS ID

LMFA07010503

1 reference

stated in

LIPID MAPS

reference URL

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

retrieved

30 June 2018

Google Knowledge Graph ID

/g/11fj326p25

0 references

JECFA database ID

3313

0 references

JECFA number

186

1 reference

stated in

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

retrieved

13 May 2021

 

Sitelinks

Wikipedia(2 entries)

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• dewiki Isobuttersäureethylester
• eowiki Etila izobuterato

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 isobutyrate

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