ethyl isovalerate (Q2815995)

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chemical compound

• Ethyl beta-methylbutyrate
• Ethyl 3-methylbutyrate
• Ethyl isopentanoate
• Isovaleric acid, ethyl ester
• Ethylisovalerate
• Ethyl iso-pentanoate
• Ethyl isovalerianate
• FEMA 2463
• Butyric acid, 3-methyl-, ethyl ester (6CI,7CI,8CI)
• Ethyl 3-methylbutanoate
• 3-Methylbutyric acid ethyl ester
• 3-Methylbutanoic acid ethyl ester

edit

Language	Label	Description	Also known as
English	ethyl isovalerate	chemical compound	Ethyl beta-methylbutyrate Ethyl 3-methylbutyrate Ethyl isopentanoate Isovaleric acid, ethyl ester Ethylisovalerate Ethyl iso-pentanoate Ethyl isovalerianate FEMA 2463 Butyric acid, 3-methyl-, ethyl ester (6CI,7CI,8CI) Ethyl 3-methylbutanoate 3-Methylbutyric acid ethyl ester 3-Methylbutanoic acid ethyl ester

Statements

instance of

type of chemical entity

0 references

subclass of

biogenic acyclic ester

0 references

wax monoester

0 references

chemical structure

Ethyl isovalerate structure.svg
385 × 165; 11 KB

0 references

mass

130.099 dalton

1 reference

stated in

PubChem

PubChem CID

7945

language of work or name

English

title

108-64-5 (English)

retrieved

6 October 2016

chemical formula

C₇H₁₄O₂

1 reference

stated in

PubChem

PubChem CID

7945

language of work or name

English

title

108-64-5 (English)

retrieved

19 November 2016

canonical SMILES

CCOC(=O)CC(C)C

1 reference

stated in

PubChem

PubChem CID

7945

language of work or name

English

title

108-64-5 (English)

retrieved

19 November 2016

melting point

−99.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

−99.3 degree Celsius

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

boiling point

135.05 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

Thymus willkommii

1 reference

stated in

Composition and variability of the essential oil of Thymus willkomii

Artemisia salsoloides

1 reference

stated in

Volatile constituents of the essential oil and of the absolute of artemisia salsoloides Willd. from Ladakh

Artemisia thuscula

1 reference

stated in

Essential Oil Composition ofArtemisia thusculaCav. from the Canary Islands

Eucalyptus nitens

1 reference

stated in

Essential oil composition of juvenile leaves from coppiced Eucalyptus nitens

Thymus vulgaris

1 reference

stated in

Influence of fibre coating in headspace solid-phase microextraction-gas chromatographic analysis of aromatic and medicinal plants

Hippophae rhamnoides

1 reference

stated in

In-tube Extraction and GC-MS Analysis of Volatile Components from Wild and Cultivated sea buckthorn (Hippophae rhamnoidesL. ssp.Carpatica) Berry Varieties and Juice

Oreotragus oreotragus

1 reference

stated in

Mammalian Exocrine Secretions XI. Constituents of the Preorbital Secretion of Klipspringer, Oreotragus oreotragus

Thymus camphoratus

1 reference

stated in

Composition and infraspecific variability of essential oil from Thymus camphoratus

Humulus lupulus

1 reference

stated in

Comparison of Odor-Active Compounds in the Spicy Fraction of Hop (Humulus lupulusL.) Essential Oil from Four Different Varieties§

Commons category

Ethyl isovalerate

0 references

Identifiers

InChI

InChI=1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3

1 reference

stated in

PubChem

PubChem CID

7945

language of work or name

English

title

108-64-5 (English)

retrieved

19 November 2016

InChIKey

PPXUHEORWJQRHJ-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

7945

language of work or name

English

title

108-64-5 (English)

retrieved

19 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

108-64-5

2 references

stated in

Global Substance Registration System

UNII

9ZZ5597636

language of work or name

English

title

ethyl isovalerate (English)

retrieved

19 November 2016

InChIKey

PPXUHEORWJQRHJ-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

8 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=108-64-5

ChemSpider ID

7657

1 reference

stated in

ChemSpider

ChemSpider ID

7657

language of work or name

English

title

Ethyl isovalerate (English)

retrieved

6 October 2016

PubChem CID

7945

2 references

stated in

PubChem

PubChem CID

7945

language of work or name

English

title

108-64-5 (English)

retrieved

19 November 2016

matched by identifier from

InChIKey

InChIKey

PPXUHEORWJQRHJ-UHFFFAOYSA-N

Reaxys registry number

1744677

1 reference

stated in

ChEBI

ChEBI ID

31571

language of work or name

English

title

ethyl isovalerate (English)

retrieved

6 October 2016

ChEBI ID

31571

mapping relation type

exact match

2 references

stated in

ChEMBL

ChEMBL ID

CHEMBL3183097

language of work or name

English

title

CHEMBL3183097 (English)

retrieved

19 November 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3

ChEMBL ID

CHEMBL3183097

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL3183097

language of work or name

English

title

CHEMBL3183097 (English)

retrieved

19 November 2016

SureChEMBL ID

SCHEMBL27828

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

PPXUHEORWJQRHJ-UHFFFAOYSA-N

UniChem compound ID

1069867

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP004943

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP005299

0 references

SPLASH

splash10-002r-9000000000-2e5a458a237911c47c6a

0 references

splash10-0550-9000000000-fe91c2131284961ab91b

0 references

NMRShiftDB structure ID

20200196

1 reference

matched by identifier from

InChIKey

InChIKey

PPXUHEORWJQRHJ-UHFFFAOYSA-N

CAMEO Chemicals ID

21901

0 references

UN number

1993

0 references

ZVG number

491189

0 references

DSSTox substance ID

DTXSID3047057

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

PPXUHEORWJQRHJ-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID1027057

0 references

NSC number

8869

0 references

EC number

203-602-3

1 reference

stated in

Global Substance Registration System

UNII

9ZZ5597636

language of work or name

English

title

ethyl isovalerate (English)

retrieved

19 November 2016

ECHA Substance Infocard ID

100.003.276

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.003.276

retrieved

27 December 2018

title

Ethyl isovalerate (English)

quotation

CAS no.: 108-64-5 (English)

FL number

09.447

1 reference

quotation

CAS no.: 108-64-5 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

09.447

CosIng number

39889

1 reference

stated in

CosIng database

CosIng number

39889

retrieved

28 December 2019

title

ETHYL ISOVALERATE (English)

quotation

CAS no.: 108-64-5 (English)

Leadscope ID

LS-2365

0 references

RxNorm ID

1314357

1 reference

stated in

Global Substance Registration System

UNII

9ZZ5597636

language of work or name

English

title

ethyl isovalerate (English)

retrieved

19 November 2016

Human Metabolome Database ID

HMDB0030028

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

PPXUHEORWJQRHJ-UHFFFAOYSA-N

KNApSAcK ID

C00050449

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

PPXUHEORWJQRHJ-UHFFFAOYSA-N

UNII

9ZZ5597636

2 references

stated in

Global Substance Registration System

UNII

9ZZ5597636

language of work or name

English

title

ethyl isovalerate (English)

retrieved

19 November 2016

matched by identifier from

InChIKey

InChIKey

PPXUHEORWJQRHJ-UHFFFAOYSA-N

KEGG ID

C12290

1 reference

stated in

ChEBI

ChEBI ID

31571

language of work or name

English

title

ethyl isovalerate (English)

retrieved

6 October 2016

LIPID MAPS ID

LMFA07010511

0 references

Google Knowledge Graph ID

/g/155qd6r0

0 references

JECFA database ID

362

0 references

JECFA number

196

1 reference

stated in

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

retrieved

13 May 2021

Microsoft Academic ID

2780819418

0 references

 

Sitelinks

Wikipedia(7 entries)

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• enwiki Ethyl isovalerate
• eowiki Etila izovalerato
• frwiki 3-Méthylbutanoate d'éthyle
• jawiki 3-メチルブタン酸エチル
• tawiki எத்தில் ஐசோவலேரேட்டு
• viwiki Ethyl isovalerat
• zhwiki 异戊酸乙酯

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 isovalerate

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