isoamyl hexanoate (Q27159714)

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chemical compound

• 3-methylbutyl caproate
• isopentyl hexanoate
• isoamyl caproate
• isopentyl caproate

edit

Language	Label	Description	Also known as
English	isoamyl hexanoate	chemical compound	3-methylbutyl caproate isopentyl hexanoate isoamyl caproate isopentyl caproate

Statements

instance of

type of chemical entity

0 references

subclass of

biogenic acyclic ester

0 references

wax monoester

0 references

mass

186.162±0 dalton

1 reference

stated in

PubChem

PubChem CID

16617

language of work or name

English

title

Isopentyl hexanoate (English)

retrieved

9 October 2016

chemical formula

C₁₁H₂₂O₂

1 reference

stated in

PubChem

PubChem CID

16617

language of work or name

English

title

Isopentyl hexanoate (English)

retrieved

20 November 2016

canonical SMILES

CCCCCC(=O)OCCC(C)C

1 reference

stated in

PubChem

PubChem CID

16617

language of work or name

English

title

Isopentyl hexanoate (English)

retrieved

20 November 2016

found in taxon

Bothriochloa bladhii

1 reference

stated in

New Constituents ofBothriochloa bladhi

Eucalyptus nitens

1 reference

stated in

Essential oil composition of juvenile leaves from coppiced Eucalyptus nitens

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

Mangifera indica

1 reference

stated in

Volatile components from mango (Mangifera indica L.) cultivars

Artemisia annua

1 reference

stated in

Chemical composition and antioxidant and antimicrobial activity of essential oil of Artemisia annua L. from Bosnia

Carica papaya

1 reference

stated in

Volatile components of papaya (Carica papaya L., Maradol variety) fruit

Identifiers

InChI

InChI=1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3

1 reference

stated in

PubChem

PubChem CID

16617

language of work or name

English

title

Isopentyl hexanoate (English)

retrieved

20 November 2016

InChIKey

XVSZRAWFCDHCBP-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

16617

language of work or name

English

title

Isopentyl hexanoate (English)

retrieved

20 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

2198-61-0

2 references

stated in

Global Substance Registration System

UNII

694171CHWH

language of work or name

English

title

isoamyl hexanoate (English)

retrieved

20 November 2016

InChIKey

XVSZRAWFCDHCBP-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

10 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=2198-61-0

ChemSpider ID

15754

1 reference

stated in

ChemSpider

ChemSpider ID

15754

language of work or name

English

title

3-Methylbutyl hexanoate (English)

retrieved

20 November 2016

PubChem CID

16617

2 references

stated in

PubChem

PubChem CID

16617

language of work or name

English

title

Isopentyl hexanoate (English)

retrieved

20 November 2016

matched by identifier from

InChIKey

InChIKey

XVSZRAWFCDHCBP-UHFFFAOYSA-N

Reaxys registry number

1760611

1 reference

stated in

ChEBI

ChEBI ID

87542

language of work or name

English

title

3-methylbutyl hexanoate (English)

retrieved

9 October 2016

ChEBI ID

87542

mapping relation type

exact match

2 references

stated in

ChEBI

ChEBI ID

87542

language of work or name

English

title

3-methylbutyl hexanoate (English)

retrieved

9 October 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3

SureChEMBL ID

SCHEMBL873505

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

XVSZRAWFCDHCBP-UHFFFAOYSA-N

UniChem compound ID

14310460

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP006991

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP005307

0 references

SPLASH

splash10-00dl-9000000000-ce193357386508bde105

0 references

DSSTox substance ID

DTXSID7062245

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

XVSZRAWFCDHCBP-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID2036582

0 references

EC number

218-600-8

1 reference

stated in

Global Substance Registration System

UNII

694171CHWH

language of work or name

English

title

isoamyl hexanoate (English)

retrieved

20 November 2016

ECHA Substance Infocard ID

100.016.910

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.016.910

retrieved

27 December 2018

title

Isopentyl hexanoate (English)

quotation

CAS no.: 2198-61-0 (English)

FL number

09.070

1 reference

quotation

CAS no.: 2198-61-0 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

09.070

CosIng number

40317

1 reference

stated in

CosIng database

CosIng number

40317

retrieved

28 December 2019

title

ISOAMYL HEXANOATE (English)

quotation

CAS no.: 2198-61-0 (English)

Human Metabolome Database ID

HMDB0033618

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

XVSZRAWFCDHCBP-UHFFFAOYSA-N

KNApSAcK ID

C00060824

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

XVSZRAWFCDHCBP-UHFFFAOYSA-N

UNII

694171CHWH

2 references

stated in

Global Substance Registration System

UNII

694171CHWH

language of work or name

English

title

isoamyl hexanoate (English)

retrieved

20 November 2016

matched by identifier from

InChIKey

InChIKey

XVSZRAWFCDHCBP-UHFFFAOYSA-N

LIPID MAPS ID

LMFA07010760

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

2520

0 references

JECFA number

46

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 Isopentylhexanoat
• eowiki Izoamila heksanato

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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