isoamyl valerate (Q27268318)

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chemical compound

• isopentyl valerate
• isopentyl pentanoate
• 3-methylbutyl pentanoate

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Language	Label	Description	Also known as
English	isoamyl valerate	chemical compound	isopentyl valerate isopentyl pentanoate 3-methylbutyl pentanoate

Statements

instance of

type of chemical entity

0 references

subclass of

biogenic acyclic ester

0 references

wax monoester

0 references

chemical structure

Isopentyl pentanoate.svg
575 × 170; 9 KB

0 references

mass

172.146±0 dalton

1 reference

stated in

PubChem

PubChem CID

74901

language of work or name

English

title

2050-09-1 (English)

retrieved

14 October 2016

chemical formula

C₁₀H₂₀O₂

1 reference

stated in

PubChem

PubChem CID

74901

language of work or name

English

title

2050-09-1 (English)

retrieved

14 October 2016

canonical SMILES

CCCCC(=O)OCCC(C)C

1 reference

stated in

PubChem

PubChem CID

74901

language of work or name

English

title

2050-09-1 (English)

retrieved

14 October 2016

found in taxon

Heracleum dissectum

1 reference

stated in

Composition of the Essential Oil from Heracleum dissectum

Tanacetum annuum

1 reference

stated in

Homoditerpenes from the essential oil of Tanacetum annuum

Vogtia annua

1 reference

stated in

Homoditerpenes from the essential oil of Tanacetum annuum

Identifiers

InChI

InChI=1S/C10H20O2/c1-4-5-6-10(11)12-8-7-9(2)3/h9H,4-8H2,1-3H3

1 reference

stated in

PubChem

PubChem CID

74901

language of work or name

English

title

2050-09-1 (English)

retrieved

14 October 2016

InChIKey

UBLAMKHIFZBBSS-UHFFFAOYSA-N

1 reference

stated in

PubChem

PubChem CID

74901

language of work or name

English

title

2050-09-1 (English)

retrieved

14 October 2016

CAS Registry Number

2050-09-1

2 references

stated in

Global Substance Registration System

UNII

7HQJ459H95

language of work or name

English

title

isoamyl valerate (English)

retrieved

14 October 2016

InChIKey

UBLAMKHIFZBBSS-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=2050-09-1

ChemSpider ID

67464

1 reference

stated in

ChemSpider

ChemSpider ID

67464

language of work or name

English

title

Isoamyl valerate (English)

retrieved

14 October 2016

PubChem CID

74901

1 reference

stated in

PubChem

PubChem CID

74901

language of work or name

English

title

2050-09-1 (English)

retrieved

14 October 2016

ChEBI ID

179541

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C10H20O2/c1-4-5-6-10(11)12-8-7-9(2)3/h9H,4-8H2,1-3H3

SureChEMBL ID

SCHEMBL1305063

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

UBLAMKHIFZBBSS-UHFFFAOYSA-N

UniChem compound ID

27010366

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP007188

0 references

SPLASH

splash10-05g3-9000000000-f26ec4e2b9dccb224862

0 references

ZVG number

491190

0 references

DSSTox substance ID

DTXSID70174484

1 reference

stated in

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

DSSTOX compound identifier

DTXCID1096975

0 references

NSC number

7006

0 references

EC number

218-081-8

1 reference

stated in

Global Substance Registration System

UNII

7HQJ459H95

language of work or name

English

title

isoamyl valerate (English)

retrieved

14 October 2016

ECHA Substance Infocard ID

100.016.439

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.016.439

retrieved

27 December 2018

title

3-methylbutyl valerate (English)

quotation

CAS no.: 2050-09-1 (English)

FL number

09.198

1 reference

quotation

CAS no.: 2050-09-1 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

09.198

CosIng number

40326

1 reference

stated in

CosIng database

CosIng number

40326

retrieved

28 December 2019

title

ISOAMYL VALERATE (English)

quotation

CAS no.: 2050-09-1 (English)

AICS Chemical ID (BEING DELETED)

2125

0 references

Human Metabolome Database ID

HMDB0040529

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

UBLAMKHIFZBBSS-UHFFFAOYSA-N

UNII

7HQJ459H95

2 references

stated in

Global Substance Registration System

UNII

7HQJ459H95

language of work or name

English

title

isoamyl valerate (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

UBLAMKHIFZBBSS-UHFFFAOYSA-N

LIPID MAPS ID

LMFA07010762

1 reference

stated in

LIPID MAPS

reference URL

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

retrieved

30 June 2018

 

Sitelinks

Wikipedia(2 entries)

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• eowiki Izoamila valerato
• svwiki Isopentylpentanoat

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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