isopentyl formate (Q15726046)

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chemical compound

• formic acid, isopentyl ester
• isopentyl methanoate
• isoamyl methanoate
• isoamyl formate

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Language	Label	Description	Also known as
English	isopentyl formate	chemical compound	formic acid, isopentyl ester isopentyl methanoate isoamyl methanoate isoamyl formate

Statements

instance of

type of chemical entity

0 references

subclass of

wax monoester

0 references

chemical structure

Isoamyl formate.svg
111 × 41; 4 KB

0 references

mass

116.084±0 dalton

1 reference

stated in

PubChem

PubChem CID

8052

language of work or name

English

title

Isopentyl formate (English)

retrieved

6 October 2016

chemical formula

C₆H₁₂O₂

1 reference

stated in

PubChem

PubChem CID

8052

language of work or name

English

title

Isopentyl formate (English)

retrieved

6 October 2016

canonical SMILES

CC(C)CCOC=O

1 reference

stated in

PubChem

PubChem CID

8052

language of work or name

English

title

Isopentyl formate (English)

retrieved

6 October 2016

melting point

−93.5 degree Celsius

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

boiling point

123.55 degree Celsius

under pressure

101.325 kilopascal

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

found in taxon

Plectranthus glabratus

1 reference

stated in

Volatile Constituents of the Headspace and Essential Oil ofPlectranthus coleoidesMarginatus (Labiatae)

Commons category

Isopentyl formate

0 references

Identifiers

InChI

InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3

1 reference

stated in

PubChem

PubChem CID

8052

language of work or name

English

title

Isopentyl formate (English)

retrieved

6 October 2016

InChIKey

XKYICAQFSCFURC-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

8052

language of work or name

English

title

Isopentyl formate (English)

retrieved

6 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

110-45-2

2 references

stated in

ChEBI

ChEBI ID

31726

language of work or name

English

title

isoamyl formate (English)

retrieved

6 October 2016

InChIKey

XKYICAQFSCFURC-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

8 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=110-45-2

ChemSpider ID

7761

1 reference

stated in

ChemSpider

ChemSpider ID

7761

language of work or name

English

title

isoamyl formate (English)

retrieved

6 October 2016

PubChem CID

8052

2 references

stated in

PubChem

PubChem CID

8052

language of work or name

English

title

Isopentyl formate (English)

retrieved

6 October 2016

matched by identifier from

InChIKey

InChIKey

XKYICAQFSCFURC-UHFFFAOYSA-N

Reaxys registry number

1739893

1 reference

stated in

ChEBI

ChEBI ID

31726

language of work or name

English

title

isoamyl formate (English)

retrieved

6 October 2016

ChEBI ID

31726

mapping relation type

exact match

2 references

stated in

ChEBI

ChEBI ID

31726

language of work or name

English

title

isoamyl formate (English)

retrieved

6 October 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3

SureChEMBL ID

SCHEMBL93241

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

XKYICAQFSCFURC-UHFFFAOYSA-N

UniChem compound ID

1070687

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP006465

0 references

SPLASH

splash10-0596-9000000000-6670002cf25236290167

0 references

NMRShiftDB structure ID

20096915

1 reference

matched by identifier from

InChIKey

InChIKey

XKYICAQFSCFURC-UHFFFAOYSA-N

ZVG number

510609

0 references

DSSTox substance ID

DTXSID00861734

1 reference

matched by identifier from

InChIKey

InChIKey

XKYICAQFSCFURC-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID40810620

0 references

NSC number

6530

0 references

EC number

203-769-2

1 reference

stated in

Global Substance Registration System

UNII

50L53EN043

language of work or name

English

title

ISOAMYL FORMATE (English)

retrieved

6 October 2016

ECHA Substance Infocard ID

100.003.428

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.003.428

retrieved

27 December 2018

title

Isopentyl formate (English)

quotation

CAS no.: 110-45-2 (English)

FL number

09.162

1 reference

quotation

CAS no.: 110-45-2 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

09.162

CosIng number

40314

1 reference

stated in

CosIng database

CosIng number

40314

retrieved

28 December 2019

title

ISOAMYL FORMATE (English)

quotation

CAS no.: 110-45-2 (English)

AICS Chemical ID (BEING DELETED)

2915

0 references

Human Metabolome Database ID

HMDB0034163

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

XKYICAQFSCFURC-UHFFFAOYSA-N

UNII

50L53EN043

2 references

stated in

Global Substance Registration System

UNII

50L53EN043

language of work or name

English

title

ISOAMYL FORMATE (English)

retrieved

6 October 2016

matched by identifier from

InChIKey

InChIKey

XKYICAQFSCFURC-UHFFFAOYSA-N

KEGG ID

C12293

1 reference

stated in

ChEBI

ChEBI ID

31726

language of work or name

English

title

isoamyl formate (English)

retrieved

6 October 2016

LIPID MAPS ID

LMFA07010575

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/155qft75

0 references

HCIS ID

2679

0 references

JECFA database ID

888

0 references

JECFA number

42

1 reference

stated in

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

retrieved

13 May 2021

 

Sitelinks

Wikipedia(3 entries)

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• enwiki Isoamyl formate
• eowiki Izoamila formiato
• zhwiki 甲酸异戊酯

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(1 entry)

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• commonswiki Category:Isopentyl formate

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