methyl octanoate (Q3348789)

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chemical compound

• methyl caprylate
• caprylic acid methyl ester
• octanoic acid methyl ester

edit

Language	Label	Description	Also known as
English	methyl octanoate	chemical compound	methyl caprylate caprylic acid methyl ester octanoic acid methyl ester

Statements

instance of

type of chemical entity

0 references

subclass of

biogenic acyclic ester

0 references

wax monoester

0 references

chemical structure

Methyl octanoate Structural Formula V1.svg
480 × 110; 9 KB

0 references

mass

158.131 dalton

1 reference

stated in

PubChem

PubChem CID

8091

language of work or name

English

title

Methyl octanoate (English)

retrieved

9 October 2016

chemical formula

C₉H₁₈O₂

1 reference

stated in

PubChem

PubChem CID

8091

language of work or name

English

title

Methyl octanoate (English)

retrieved

9 October 2016

canonical SMILES

CCCCCCCC(=O)OC

1 reference

stated in

PubChem

PubChem CID

8091

language of work or name

English

title

Methyl octanoate (English)

retrieved

9 October 2016

melting point

−40.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

found in taxon

Citrus ×iyo

1 reference

stated in

Composition of oxygenated compounds in peel oil from Citrus iyo and its variation during storage.

Schinus molle

1 reference

stated in

The volatile constituents of Schinus molle L

Astragalus membranaceus

1 reference

stated in

Volatile Flavor Components of ASTRAGALI RADIX (Astragalus membranaceusBunge)

Opuntia ficus-indica

1 reference

stated in

Volatile constituents of prickly pear (Opuntia ficus indica Mill., de Castilla variety)

rooibos

1 reference

stated in

Volatile components of Rooibos tea (Aspalathus linearis)

Annona reticulata

1 reference

stated in

Volatile constituents of Custard Apple

Daphne odora

1 reference

stated in

Volatile components of zinchoge flower (Daphne odora Thunb.).

Casimiroa greggii

1 reference

stated in

Oil of Chapote Amarillo (Sargentia greggi): 2,5-Dimethoxyflavone in the Unsaponified Fraction

Bothriochloa bladhii

1 reference

stated in

New Constituents ofBothriochloa bladhi

Achillea millefolium

1 reference

stated in

Mosquito repelling activity of compounds occurring inAchillea millefolium L. (asteraceae)

Humulus lupulus

1 reference

stated in

Direct thermal desorption-gas chromatography and gas chromatography-mass spectrometry profiling of hop (Humulus lupulus L.) essential oils in support of varietal characterization

Arum maculatum

1 reference

stated in

The floral odour of Arum maculatum

Annona montana

1 reference

stated in

Volatile Components of Wild Soursop (Annona montana Macf.) Fruit

Carica papaya

1 reference

stated in

Volatile components of papaya (Carica papaya L.) with particular reference to glucosinolate products

Elsholtzia fruticosa

1 reference

stated in

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

Mentha pulegium

1 reference

stated in

Influence of in vitro growth conditions in the production of defence compounds in Mentha pulegium L.

Astragalus trimestris

1 reference

stated in

Volatile Flavor Components of ASTRAGALI RADIX (Astragalus membranaceusBunge)

Astragalus mongholicus

1 reference

stated in

Volatile Flavor Components of ASTRAGALI RADIX (Astragalus membranaceusBunge)

Alafia barteri

1 reference

stated in

Isolation, characterization and antiproliferative evaluation of constituents from stem extracts of Alafia barteri Oliv. Hook. F.

Commons category

Methyl octanoate

0 references

Identifiers

InChI

InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3

1 reference

stated in

PubChem

PubChem CID

8091

language of work or name

English

title

Methyl octanoate (English)

retrieved

9 October 2016

InChIKey

JGHZJRVDZXSNKQ-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

8091

language of work or name

English

title

Methyl octanoate (English)

retrieved

9 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

111-11-5

2 references

stated in

ChEBI

ChEBI ID

87432

language of work or name

English

title

methyl octanoate (English)

retrieved

9 October 2016

InChIKey

JGHZJRVDZXSNKQ-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=111-11-5

ChemSpider ID

7800

1 reference

stated in

ChemSpider

ChemSpider ID

7800

language of work or name

English

title

Methyl octanoate (English)

retrieved

9 October 2016

PubChem CID

8091

2 references

stated in

PubChem

PubChem CID

8091

language of work or name

English

title

Methyl octanoate (English)

retrieved

9 October 2016

matched by identifier from

InChIKey

InChIKey

JGHZJRVDZXSNKQ-UHFFFAOYSA-N

Reaxys registry number

1752270

1 reference

stated in

ChEBI

ChEBI ID

87432

language of work or name

English

title

methyl octanoate (English)

retrieved

9 October 2016

ChEBI ID

87432

mapping relation type

exact match

2 references

stated in

ChEBI

ChEBI ID

87432

language of work or name

English

title

methyl octanoate (English)

retrieved

9 October 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3

ChEMBL ID

CHEMBL3183908

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL3183908

language of work or name

English

title

CHEMBL3183908 (English)

retrieved

9 October 2016

SureChEMBL ID

SCHEMBL27416

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

JGHZJRVDZXSNKQ-UHFFFAOYSA-N

UniChem compound ID

24534634

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP006228

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP006244

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP006428

0 references

SPLASH

splash10-00dl-9000000000-40ffa5798d07e48f1902

0 references

splash10-00dl-9000000000-11d861be484d298f17df

0 references

splash10-000i-9400000000-9ca6bbfde17164ee971b

0 references

splash10-000i-9300000000-bea944e846b041febf22

0 references

CAMEO Chemicals ID

17404

0 references

ZVG number

491980

0 references

HSDB ID

5544

1 reference

stated in

Hazardous Substances Data Bank

HSDB ID

5544

publication date

28 October 2019

title

OCTANOIC ACID, METHYL ESTER (English)

retrieved

10 May 2021

DSSTox substance ID

DTXSID2026864

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

JGHZJRVDZXSNKQ-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID606864

0 references

NSC number

3710

0 references

EC number

203-835-0

1 reference

stated in

Global Substance Registration System

UNII

7MO740X6QL

language of work or name

English

title

METHYL OCTANOATE (English)

retrieved

9 October 2016

ECHA Substance Infocard ID

100.003.487

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.003.487

retrieved

27 December 2018

title

Methyl octanoate (English)

quotation

CAS no.: 111-11-5 (English)

FL number

09.117

1 reference

quotation

CAS no.: 111-11-5 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

09.117

CosIng number

35281

1 reference

stated in

CosIng database

CosIng number

35281

retrieved

28 December 2019

title

METHYL CAPRYLATE (English)

quotation

CAS no.: 111-11-5 (English)

AICS Chemical ID (BEING DELETED)

2959

0 references

Human Metabolome Database ID

HMDB0031291

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

JGHZJRVDZXSNKQ-UHFFFAOYSA-N

KNApSAcK ID

C00051552

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

JGHZJRVDZXSNKQ-UHFFFAOYSA-N

UNII

7MO740X6QL

2 references

stated in

Global Substance Registration System

UNII

7MO740X6QL

language of work or name

English

title

METHYL OCTANOATE (English)

retrieved

9 October 2016

matched by identifier from

InChIKey

InChIKey

JGHZJRVDZXSNKQ-UHFFFAOYSA-N

Probes And Drugs ID

PD117498

0 references

LIPID MAPS ID

LMFA07010446

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/122tc10p

0 references

JECFA database ID

4966

0 references

JECFA number

173

1 reference

stated in

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

retrieved

1 November 2021

 

Sitelinks

Wikipedia(3 entries)

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• dewiki Octansäuremethylester
• eowiki Metila oktanato
• frwiki Octanoate de méthyle

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 octanoate

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