isopropyl formate (Q461068)

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chemical compound

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Language	Label	Description	Also known as
English	isopropyl formate	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

chemical structure

Structural formula of isopropyl formate.svg
234 × 113; 7 KB

0 references

Isopropyl formate.svg
280 × 170; 5 KB

0 references

mass

88.052 dalton

1 reference

stated in

PubChem

PubChem CID

12257

language of work or name

English

title

ISOPROPYL FORMATE (English)

retrieved

14 October 2016

chemical formula

C₄H₈O₂

1 reference

stated in

PubChem

PubChem CID

12257

language of work or name

English

title

ISOPROPYL FORMATE (English)

retrieved

14 October 2016

canonical SMILES

CC(C)OC=O

1 reference

stated in

PubChem

PubChem CID

12257

language of work or name

English

title

ISOPROPYL FORMATE (English)

retrieved

14 October 2016

melting point

−93.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

found in taxon

Coffea arabica

1 reference

stated in

New volatile components of roasted coffee

Commons category

Isopropyl formate

0 references

Identifiers

InChI

InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3

1 reference

stated in

PubChem

PubChem CID

12257

language of work or name

English

title

ISOPROPYL FORMATE (English)

retrieved

14 October 2016

InChIKey

RMOUBSOVHSONPZ-UHFFFAOYSA-N

1 reference

stated in

PubChem

PubChem CID

12257

language of work or name

English

title

ISOPROPYL FORMATE (English)

retrieved

14 October 2016

CAS Registry Number

625-55-8

2 references

stated in

Global Substance Registration System

UNII

H1L164W42G

language of work or name

English

title

isopropyl formate (English)

retrieved

14 October 2016

InChIKey

RMOUBSOVHSONPZ-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

8 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=625-55-8

ChemSpider ID

11755

1 reference

stated in

ChemSpider

ChemSpider ID

11755

language of work or name

English

title

Isopropylformate (English)

retrieved

14 October 2016

PubChem CID

12257

2 references

stated in

PubChem

PubChem CID

12257

language of work or name

English

title

ISOPROPYL FORMATE (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

RMOUBSOVHSONPZ-UHFFFAOYSA-N

ChEBI ID

173325

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3

ChEMBL ID

CHEMBL3184082

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL3184082

language of work or name

English

title

CHEMBL3184082 (English)

retrieved

14 October 2016

UniChem compound ID

3666263

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP008865

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP006461

0 references

SPLASH

splash10-0007-9000000000-f684de40bfbe24a368ed

0 references

NMRShiftDB structure ID

10016815

1 reference

matched by identifier from

InChIKey

InChIKey

RMOUBSOVHSONPZ-UHFFFAOYSA-N

ZVG number

37940

0 references

HSDB ID

6401

1 reference

stated in

Hazardous Substances Data Bank

HSDB ID

6401

publication date

28 October 2019

title

ISOPROPYL FORMATE (English)

retrieved

10 May 2021

DSSTox substance ID

DTXSID2027258

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

RMOUBSOVHSONPZ-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID807258

0 references

EC number

210-901-2

1 reference

stated in

Global Substance Registration System

UNII

H1L164W42G

language of work or name

English

title

isopropyl formate (English)

retrieved

14 October 2016

ECHA Substance Infocard ID

100.009.911

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.009.911

retrieved

27 December 2018

title

Isopropyl formate (English)

quotation

CAS no.: 625-55-8 (English)

FL number

09.165

1 reference

quotation

CAS no.: 625-55-8 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

09.165

AICS Chemical ID (BEING DELETED)

5411

0 references

Human Metabolome Database ID

HMDB0040579

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

RMOUBSOVHSONPZ-UHFFFAOYSA-N

UNII

H1L164W42G

2 references

stated in

Global Substance Registration System

UNII

H1L164W42G

language of work or name

English

title

isopropyl formate (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

RMOUBSOVHSONPZ-UHFFFAOYSA-N

Google Knowledge Graph ID

/g/121gpghp

0 references

HCIS ID

2684

0 references

JECFA database ID

1311

0 references

JECFA number

304

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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• dewiki Ameisensäureisopropylester
• elwiki Μεθανικός ισοπροπυλεστέρας
• eowiki Izopropila formiato

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:Isopropyl formate

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