methyl isovalerate (Q27162017)

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chemical compound

• Methyl isopentanoate
• 3-Methylbutanoic acid methyl ester
• FEMA 2753
• Isovaleric acid, methyl ester
• Butanoic acid, 3-methyl-, methyl ester
• Methyl isovalerate [UN2400] [Flammable liquid]
• Methyl isovalerate
• 3-Methyl-2-oxobutanoic acid
• Methyl isovalerianate
• Methyl 3-methylbutyrate

edit

Language	Label	Description	Also known as
English	methyl isovalerate	chemical compound	Methyl isopentanoate 3-Methylbutanoic acid methyl ester FEMA 2753 Isovaleric acid, methyl ester Butanoic acid, 3-methyl-, methyl ester Methyl isovalerate [UN2400] [Flammable liquid] Methyl isovalerate 3-Methyl-2-oxobutanoic acid Methyl isovalerianate Methyl 3-methylbutyrate

Statements

instance of

type of chemical entity

0 references

subclass of

biogenic acyclic ester

0 references

wax monoester

0 references

chemical structure

Methyl isovalerate.svg
330 × 170; 8 KB

0 references

mass

116.084±0 dalton

1 reference

stated in

PubChem

PubChem CID

11160

language of work or name

English

title

556-24-1 (English)

retrieved

18 November 2016

chemical formula

C₆H₁₂O₂

1 reference

stated in

PubChem

PubChem CID

11160

language of work or name

English

title

556-24-1 (English)

retrieved

18 November 2016

canonical SMILES

CC(C)CC(=O)OC

1 reference

stated in

PubChem

PubChem CID

11160

language of work or name

English

title

556-24-1 (English)

retrieved

18 November 2016

found in taxon

Thymus zygioides

1 reference

stated in

Essential Oils from Four Chemotypes ofThymus zygioidesGriseb. var.lycaonicus(Celak) Ronniger

Origanum minutiflorum

1 reference

stated in

The Essential Oil ofOriganum minutiflorumO. Schwarz and P. H. Davis

Thymus longicaulis

1 reference

stated in

The Occurrence of Three Chemotypes of Thymus longicaulis C. Presl. subsp. longicaulis in the Same Population

Foeniculum vulgare

1 reference

stated in

Antimycobacterial activity of constituents from Foeniculum vulgare var. dulce grown in Mexico.

has part(s)

carbon

0 references

hydrogen

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oxygen

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Commons category

Methyl isovalerate

0 references

Identifiers

InChI

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

1 reference

stated in

PubChem

PubChem CID

11160

language of work or name

English

title

556-24-1 (English)

retrieved

18 November 2016

InChIKey

OQAGVSWESNCJJT-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

11160

language of work or name

English

title

556-24-1 (English)

retrieved

18 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

556-24-1

2 references

stated in

Global Substance Registration System

UNII

QPS4788198

language of work or name

English

title

methyl isovalerate (English)

retrieved

18 November 2016

InChIKey

OQAGVSWESNCJJT-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

8 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=556-24-1

ChemSpider ID

10687

1 reference

stated in

ChemSpider

ChemSpider ID

10687

language of work or name

English

title

Methyl isovalerate (English)

retrieved

18 November 2016

PubChem CID

11160

2 references

stated in

PubChem

PubChem CID

11160

language of work or name

English

title

556-24-1 (English)

retrieved

18 November 2016

matched by identifier from

InChIKey

InChIKey

OQAGVSWESNCJJT-UHFFFAOYSA-N

ChEBI ID

89832

mapping relation type

exact match

2 references

stated in

ChEBI

ChEBI ID

89832

language of work or name

English

title

Methyl 3-methylbutanoate (English)

retrieved

9 October 2016

matched by identifier from

International Chemical Identifier

InChI

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

SureChEMBL ID

SCHEMBL112862

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

OQAGVSWESNCJJT-UHFFFAOYSA-N

UniChem compound ID

17930041

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP002112

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP005218

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP005298

0 references

SPLASH

splash10-014i-1900000000-73589b5b124cd5952eb4

0 references

splash10-00dl-9000000000-7f5aff59c48fa693bf95

0 references

NMRShiftDB structure ID

30095506

1 reference

matched by identifier from

InChIKey

InChIKey

OQAGVSWESNCJJT-UHFFFAOYSA-N

CAMEO Chemicals ID

3948

0 references

ZVG number

105174

0 references

DSSTox substance ID

DTXSID5060300

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

OQAGVSWESNCJJT-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID2041911

0 references

EC number

209-117-3

1 reference

stated in

Global Substance Registration System

UNII

QPS4788198

language of work or name

English

title

methyl isovalerate (English)

retrieved

18 November 2016

ECHA Substance Infocard ID

100.008.290

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.008.290

retrieved

27 December 2018

title

Methyl isovalerate (English)

quotation

CAS no.: 556-24-1 (English)

FL number

09.462

1 reference

quotation

CAS no.: 556-24-1 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

09.462

CosIng number

40704

1 reference

stated in

CosIng database

CosIng number

40704

retrieved

28 December 2019

title

METHYL ISOVALERATE (English)

quotation

CAS no.: 556-24-1 (English)

Human Metabolome Database ID

HMDB0030027

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

OQAGVSWESNCJJT-UHFFFAOYSA-N

UNII

QPS4788198

2 references

stated in

Global Substance Registration System

UNII

QPS4788198

language of work or name

English

title

methyl isovalerate (English)

retrieved

18 November 2016

matched by identifier from

InChIKey

InChIKey

OQAGVSWESNCJJT-UHFFFAOYSA-N

LIPID MAPS ID

LMFA07010950

1 reference

stated in

LIPID MAPS

reference URL

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

retrieved

30 June 2018

JECFA database ID

363

0 references

JECFA number

195

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 Metila izovalerato

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:Methyl isovalerate

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