amyl isobutyrate (Q27268865)

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chemical compound

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Language	Label	Description	Also known as
English	amyl isobutyrate	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

mass

158.131±0 dalton

1 reference

stated in

PubChem

PubChem CID

75554

language of work or name

English

title

Pentyl 2-methylpropanoate (English)

retrieved

14 October 2016

chemical formula

C₉H₁₈O₂

1 reference

stated in

PubChem

PubChem CID

75554

language of work or name

English

title

Pentyl 2-methylpropanoate (English)

retrieved

14 October 2016

canonical SMILES

CCCCCOC(=O)C(C)C

1 reference

stated in

PubChem

PubChem CID

75554

language of work or name

English

title

Pentyl 2-methylpropanoate (English)

retrieved

14 October 2016

found in taxon

Mangifera indica

1 reference

stated in

Volatile components from mango (Mangifera indica L.) cultivars

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

Identifiers

InChI

InChI=1S/C9H18O2/c1-4-5-6-7-11-9(10)8(2)3/h8H,4-7H2,1-3H3

1 reference

stated in

PubChem

PubChem CID

75554

language of work or name

English

title

Pentyl 2-methylpropanoate (English)

retrieved

14 October 2016

InChIKey

UYGGIIOLYXRSQY-UHFFFAOYSA-N

1 reference

stated in

PubChem

PubChem CID

75554

language of work or name

English

title

Pentyl 2-methylpropanoate (English)

retrieved

14 October 2016

CAS Registry Number

2445-72-9

2 references

stated in

Global Substance Registration System

UNII

7UEX06WJZW

language of work or name

English

title

amyl isobutyrate (English)

retrieved

14 October 2016

InChIKey

UYGGIIOLYXRSQY-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=2445-72-9

ChemSpider ID

68079

1 reference

stated in

ChemSpider

ChemSpider ID

68079

language of work or name

English

title

Pentyl 2-methylpropanoate (English)

retrieved

14 October 2016

PubChem CID

75554

2 references

stated in

PubChem

PubChem CID

75554

language of work or name

English

title

Pentyl 2-methylpropanoate (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

UYGGIIOLYXRSQY-UHFFFAOYSA-N

ChEBI ID

230547

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C9H18O2/c1-4-5-6-7-11-9(10)8(2)3/h8H,4-7H2,1-3H3

SureChEMBL ID

SCHEMBL332803

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

UYGGIIOLYXRSQY-UHFFFAOYSA-N

UniChem compound ID

23830027

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP006970

0 references

SPLASH

splash10-006x-9000000000-0a88a24520975daafc0c

0 references

DSSTox substance ID

DTXSID5074341

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

UYGGIIOLYXRSQY-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID9037082

0 references

EC number

219-494-6

1 reference

stated in

Global Substance Registration System

UNII

7UEX06WJZW

language of work or name

English

title

amyl isobutyrate (English)

retrieved

14 October 2016

ECHA Substance Infocard ID

100.017.722

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.017.722

retrieved

27 December 2018

title

Pentyl isobutyrate (English)

quotation

CAS no.: 2445-72-9 (English)

FL number

09.418

1 reference

quotation

CAS no.: 2445-72-9 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

09.418

CosIng number

39043

1 reference

stated in

CosIng database

CosIng number

39043

retrieved

28 December 2019

title

AMYL ISOBUTYRATE (English)

quotation

CAS no.: 2445-72-9 (English)

KNApSAcK ID

C00053668

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

UYGGIIOLYXRSQY-UHFFFAOYSA-N

UNII

7UEX06WJZW

2 references

stated in

Global Substance Registration System

UNII

7UEX06WJZW

language of work or name

English

title

amyl isobutyrate (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

UYGGIIOLYXRSQY-UHFFFAOYSA-N

 

Sitelinks

Wikipedia(1 entry)

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• eowiki Amila izobuterato

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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