isoamyl isovalerate (Q11066025)

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chemical compound

• 3-methylbutyl 3-methylbutanoate

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Language	Label	Description	Also known as
English	isoamyl isovalerate	chemical compound	3-methylbutyl 3-methylbutanoate

Statements

instance of

type of chemical entity

0 references

subclass of

biogenic acyclic ester

0 references

wax monoester

0 references

chemical structure

Isopentylisovalerat.svg
455 × 128; 9 KB

0 references

mass

172.146±0 dalton

1 reference

stated in

PubChem

PubChem CID

12613

language of work or name

English

title

659-70-1 (English)

retrieved

18 November 2016

chemical formula

C₁₀H₂₀O₂

1 reference

stated in

PubChem

PubChem CID

12613

language of work or name

English

title

659-70-1 (English)

retrieved

18 November 2016

canonical SMILES

CC(C)CCOC(=O)CC(C)C

1 reference

stated in

PubChem

PubChem CID

12613

language of work or name

English

title

659-70-1 (English)

retrieved

18 November 2016

boiling point

190.4 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

Composition of the Essential Oil from Heracleum dissectum

Eucalyptus jensenii

1 reference

stated in

Jensenone, a ketone from Eucalyptus jensenii

Elsholtzia fruticosa

1 reference

stated in

Chemical Varieties of Essential Oils from Elsholtzia polystachya from Two Different Locations in India1

Eucalyptus angulosa

1 reference

stated in

Volatile leaf oils of some south-western and southern australian species of the genus eucalyptus. Part I: Subgenus symphyomyrtus, section dumaria, series incrassatae

Eucalyptus behriana

1 reference

stated in

Volatile leaf oils of some South-western and Southern Australian species of the genusEucalyptus part VI—subgenus symphyomyrtus, section adnataria

Eucalyptus bridgesiana

1 reference

stated in

Volatile Constituents of the Essential Oil ofEucalyptus bridgesianaGrowing in India

Eucalyptus camaldulensis

1 reference

stated in

Effect of Drying on Leaf Oil Production of MoroccanEucalyptus camaldulensis

Eucalyptus ceratocorys

1 reference

stated in

Volatile leaf oils of some south-western and southern australian species of the genus eucalyptus. Part I: Subgenus symphyomyrtus, section dumaria, series incrassatae

Eucalyptus cuprea

1 reference

stated in

Volatile leaf oils of some South-western and Southern Australian species of the genusEucalyptus part VI—subgenus symphyomyrtus, section adnataria

Eucalyptus dolichorhyncha

1 reference

stated in

Volatile leaf oils of some south-western and southern australian species of the genus eucalyptus. Part I: Subgenus symphyomyrtus, section dumaria, series incrassatae

Eucalyptus fasciculosa

1 reference

stated in

Volatile leaf oils of some South-western and Southern Australian species of the genusEucalyptus part VI—subgenus symphyomyrtus, section adnataria

Eucalyptus forrestiana

1 reference

stated in

Volatile leaf oils of some south-western and southern australian species of the genus eucalyptus. Part I: Subgenus symphyomyrtus, section dumaria, series incrassatae

Eucalyptus incrassata

1 reference

stated in

Volatile leaf oils of some south-western and southern australian species of the genus eucalyptus. Part I: Subgenus symphyomyrtus, section dumaria, series incrassatae

Eucalyptus intertexta

1 reference

stated in

Volatile leaf oils of some South-western and Southern Australian species of the genusEucalyptus part VI—subgenus symphyomyrtus, section adnataria

Eucalyptus lansdowneana

1 reference

stated in

Volatile leaf oils of some South-western and Southern Australian species of the genusEucalyptus part VI—subgenus symphyomyrtus, section adnataria

Eucalyptus leucoxylon

1 reference

stated in

Volatile leaf oils of some South-western and Southern Australian species of the genusEucalyptus part VI—subgenus symphyomyrtus, section adnataria

Eucalyptus melanophloia

1 reference

stated in

Volatile leaf oils of some South-western and Southern Australian species of the genusEucalyptus part VI—subgenus symphyomyrtus, section adnataria

Eucalyptus ochrophloia

1 reference

stated in

Volatile leaf oils of some South-western and Southern Australian species of the genusEucalyptus part VI—subgenus symphyomyrtus, section adnataria

Eucalyptus odorata

1 reference

stated in

Volatile leaf oils of some South-western and Southern Australian species of the genusEucalyptus part VI—subgenus symphyomyrtus, section adnataria

Eucalyptus populnea

1 reference

stated in

Volatile leaf oils of some South-western and Southern Australian species of the genusEucalyptus part VI—subgenus symphyomyrtus, section adnataria

Eucalyptus porosa

1 reference

stated in

Volatile leaf oils of some South-western and Southern Australian species of the genusEucalyptus part VI—subgenus symphyomyrtus, section adnataria

Eucalyptus sparsa

1 reference

stated in

Volatile leaf oils of some South-western and Southern Australian species of the genusEucalyptus part VI—subgenus symphyomyrtus, section adnataria

Eucalyptus stoatei

1 reference

stated in

Volatile leaf oils of some south-western and southern australian species of the genus eucalyptus. Part I: Subgenus symphyomyrtus, section dumaria, series incrassatae

Eucalyptus tetraptera

1 reference

stated in

Volatile leaf oils of some south-western and southern australian species of the genus eucalyptus. Part I: Subgenus symphyomyrtus, section dumaria, series incrassatae

Eucalyptus viridis

1 reference

stated in

Volatile leaf oils of some South-western and Southern Australian species of the genusEucalyptus part VI—subgenus symphyomyrtus, section adnataria

Conyza incana

1 reference

stated in

Aromatic Plants of Saudi Arabia, Part 12 Essential Oil ofConyza Incana

Eucalyptus nitens

1 reference

stated in

Essential oil composition of juvenile leaves from coppiced Eucalyptus nitens

Micromyrtus striata

1 reference

stated in

Isoamyl Isovalerate from Essential Oil ofMicromyrtus striataJ. W. Green

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

Hypericum perforatum

1 reference

stated in

Variation in the composition of the essential oils, phenolic compounds and mineral elements of Hypericum perforatum L. growing in Estonia

Valeriana jatamansi

1 reference

stated in

Chemical diversity in the essential oil of Indian valerian (Valeriana jatamansi Jones)

water mint

1 reference

stated in

A New Chemotype of Mentha aquatica Containing Sesquiterpene Alcohols as Major Components(Chemical Constituents of Wild Mints, part XIX).

Eucalyptus oviformis

1 reference

stated in

Effect of Drying on Leaf Oil Production of MoroccanEucalyptus camaldulensis

Valeriana officinalis

1 reference

stated in

Essential Oil Composition ofValeriana officinalisssp.collinaCultivated in Bulgaria

Identifiers

InChI

InChI=1S/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3

1 reference

stated in

PubChem

PubChem CID

12613

language of work or name

English

title

659-70-1 (English)

retrieved

18 November 2016

InChIKey

XINCECQTMHSORG-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

12613

language of work or name

English

title

659-70-1 (English)

retrieved

18 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

659-70-1

2 references

stated in

Global Substance Registration System

UNII

16M1VA1FJY

language of work or name

English

title

isoamyl isovalerate (English)

retrieved

18 November 2016

InChIKey

XINCECQTMHSORG-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=659-70-1

ChemSpider ID

12093

1 reference

stated in

ChemSpider

ChemSpider ID

12093

language of work or name

English

title

Isoamyl isovalerate (English)

retrieved

18 November 2016

PubChem CID

12613

1 reference

stated in

PubChem

PubChem CID

12613

language of work or name

English

title

659-70-1 (English)

retrieved

18 November 2016

ChEBI ID

31727

mapping relation type

exact match

2 references

stated in

ChEMBL

ChEMBL ID

CHEMBL3189076

language of work or name

English

title

CHEMBL3189076 (English)

retrieved

18 November 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3

ChEMBL ID

CHEMBL3189076

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL3189076

language of work or name

English

title

CHEMBL3189076 (English)

retrieved

18 November 2016

SureChEMBL ID

SCHEMBL113763

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

XINCECQTMHSORG-UHFFFAOYSA-N

UniChem compound ID

1072312

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP006523

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP005301

0 references

SPLASH

splash10-05fu-9000000000-2a19de7644662f7b1eb3

0 references

splash10-00dl-9000000000-7fd51ed37d362ffdad27

0 references

ZVG number

491192

0 references

DSSTox substance ID

DTXSID8044757

1 reference

stated in

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

DSSTOX compound identifier

DTXCID6024757

0 references

NSC number

6565

0 references

EC number

211-536-1

1 reference

stated in

Global Substance Registration System

UNII

16M1VA1FJY

language of work or name

English

title

isoamyl isovalerate (English)

retrieved

18 November 2016

ECHA Substance Infocard ID

100.010.489

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.010.489

retrieved

27 December 2018

title

3-methylbutyl isovalerate (English)

quotation

CAS no.: 659-70-1 (English)

FL number

09.463

1 reference

quotation

CAS no.: 659-70-1 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

09.463

CosIng number

40319

1 reference

stated in

CosIng database

CosIng number

40319

retrieved

28 December 2019

title

ISOAMYL ISOVALERATE (English)

quotation

CAS no.: 659-70-1 (English)

ZINC ID

1693629

0 references

Leadscope ID

LS-2395

0 references

AICS Chemical ID (BEING DELETED)

5566

0 references

Human Metabolome Database ID

HMDB0030029

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

XINCECQTMHSORG-UHFFFAOYSA-N

KNApSAcK ID

C00062623

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

XINCECQTMHSORG-UHFFFAOYSA-N

UNII

16M1VA1FJY

2 references

stated in

Global Substance Registration System

UNII

16M1VA1FJY

language of work or name

English

title

isoamyl isovalerate (English)

retrieved

18 November 2016

matched by identifier from

InChIKey

InChIKey

XINCECQTMHSORG-UHFFFAOYSA-N

KEGG ID

C12289

1 reference

stated in

ChEBI

ChEBI ID

31727

language of work or name

English

title

Isoamyl isovalerate (English)

retrieved

6 October 2016

LIPID MAPS ID

LMFA07010919

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/155sx5gs

0 references

JECFA database ID

176

0 references

JECFA number

50

1 reference

stated in

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

retrieved

13 May 2021

Nikkaji ID

J2.103B

0 references

 

Sitelinks

Wikipedia(3 entries)

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• dewiki Isopentylisovalerat
• eowiki Izoamila izovalerato
• zhwiki 异戊酸异戊酯

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(0 entries)

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