3-methyl-2-butanone (Q223112)

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chemical compound

• 3-pentanone
• diethyl ketone
• dimethylacetone
• ethyl ketone
• metacetone
• propione

edit

Language	Label	Description	Also known as
English	3-methyl-2-butanone	chemical compound	3-pentanone diethyl ketone dimethylacetone ethyl ketone metacetone propione

Statements

instance of

type of chemical entity

0 references

subclass of

biogenic acyclic ketone

0 references

oxygenated hydrocarbon

0 references

pentanone

0 references

chemical structure

Pentanone V.1.svg
215 × 75; 4 KB

criterion used

structure representation with labelled terminal carbon atoms

1 reference

imported from Wikimedia project

German Wikipedia

3-Pentanone structure.svg
340 × 180; 3 KB

criterion used

structure representation with unlabelled terminal carbon atoms

0 references

mass

86.073 dalton

1 reference

stated in

PubChem

PubChem CID

7288

language of work or name

English

title

3-PENTANONE (English)

retrieved

5 October 2016

associated hazard

pentan-3-one exposure

0 references

has effect

pentan-3-one exposure

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0212.html

chemical formula

C₅H₁₀O

1 reference

stated in

PubChem

PubChem CID

7288

language of work or name

English

title

3-PENTANONE (English)

retrieved

19 November 2016

canonical SMILES

CCC(=O)CC

1 reference

stated in

PubChem

PubChem CID

7288

language of work or name

English

title

3-PENTANONE (English)

retrieved

19 November 2016

ionization energy

9.32 electronvolt

series ordinal

1

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0212.html

9.31

series ordinal

1

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

density

0.81 gram per cubic centimetre

temperature

20 degree Celsius

phase of matter

liquid

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0212.html

melting point

−44 degree Fahrenheit

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0212.html

−39.0 degree Celsius

2 references

stated in

Jean-Claude Bradley Open Melting Point Dataset

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

object named as

-39

boiling point

215 degree Fahrenheit

under pressure

760 torr

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0212.html

101.96 degree Celsius

under pressure

101.325 kilopascal

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

vapor pressure

35 millimetre of mercury

temperature

77 degree Fahrenheit

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0212.html

solubility

5 gram per 100 gram of solvent

temperature

68 degree Fahrenheit

solvent

water

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0212.html

flash point

55 degree Fahrenheit

determination method or standard

Cleveland open-cup method

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0212.html

lower flammable limit

1.6 volume percent

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0212.html

upper flammable limit

6.4 volume percent

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0212.html

NIOSH Pocket Guide ID

0212

0 references

time-weighted average exposure limit

705 milligram per cubic metre

applies to jurisdiction

no value

duration

10 hour

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0212.html

found in taxon

Zingiber mioga

1 reference

stated in

Volatile Flavor Compounds of Myoga (Zingiber Mioga).

maize

1 reference

stated in

Volatile components of corn silk (Zea mays L.): possible Heliothis zea (Boddie) attractants

Opuntia ficus-indica

1 reference

stated in

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

Basella alba

1 reference

stated in

Volatile flavor components of malabar-nightshade (Basella rubra L.)

Cichorium endivia

1 reference

stated in

Neutral volatiles from blended endive (Cichorium endivia, L.)

Medicago sativa

1 reference

stated in

Volatiles from Medicago sativa complex flowers

Oreotragus oreotragus

1 reference

stated in

Mammalian Exocrine Secretions XI. Constituents of the Preorbital Secretion of Klipspringer, Oreotragus oreotragus

Mangifera indica

1 reference

stated in

Volatile components from mango (Mangifera indica L.) cultivars

Perilla frutescens

1 reference

stated in

Characteristic aroma-active compounds of Korean perilla (Perilla frutescens Britton) leaf

tomato

2 references

stated in

Relationships between the volatile compounds evaluated by solid phase microextraction and the thermal treatment of tomato juice: optimization of the blanching parameters

stated in

Effect of autochthonous lactic acid bacteria starters on health-promoting and sensory properties of tomato juices

has characteristic

Class IB flammable liquid

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0212.html

Commons category

3-Pentanone

0 references

Identifiers

InChI

InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3

1 reference

stated in

PubChem

PubChem CID

7288

language of work or name

English

title

3-PENTANONE (English)

retrieved

19 November 2016

InChIKey

FDPIMTJIUBPUKL-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

7288

language of work or name

English

title

3-PENTANONE (English)

retrieved

19 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

96-22-0

2 references

stated in

Global Substance Registration System

UNII

9SLZ98M9NK

language of work or name

English

title

diethyl ketone (English)

retrieved

19 November 2016

InChIKey

FDPIMTJIUBPUKL-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=96-22-0

ChemSpider ID

7016

1 reference

stated in

ChemSpider

ChemSpider ID

7016

language of work or name

English

title

3-Pentanone (English)

retrieved

19 November 2016

PubChem CID

7288

2 references

stated in

PubChem

PubChem CID

7288

language of work or name

English

title

3-PENTANONE (English)

retrieved

19 November 2016

matched by identifier from

InChIKey

InChIKey

FDPIMTJIUBPUKL-UHFFFAOYSA-N

Reaxys registry number

635749

1 reference

stated in

ChEBI

ChEBI ID

87755

language of work or name

English

title

pentan-3-one (English)

retrieved

5 October 2016

ChEBI ID

87755

mapping relation type

exact match

2 references

stated in

ChEMBL

ChEMBL ID

CHEMBL45315

language of work or name

English

title

CHEMBL45315 (English)

retrieved

19 November 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3

ChEMBL ID

CHEMBL45315

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL45315

language of work or name

English

title

CHEMBL45315 (English)

retrieved

19 November 2016

UniChem compound ID

76126

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP000266

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP001806

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP006445

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP004922

0 references

SPLASH

splash10-0a6r-9000000000-c1a7a86d837131566f02

0 references

splash10-0a4i-9000000000-8c54b4d20d574dc02730

0 references

splash10-056r-9000000000-ee9204007b48c301923d

0 references

splash10-056r-9000000000-baeb5fec2938e7540a37

0 references

NMRShiftDB structure ID

10008778

1 reference

matched by identifier from

InChIKey

InChIKey

FDPIMTJIUBPUKL-UHFFFAOYSA-N

ICSC ID

0874

0 references

CAMEO Chemicals ID

563

0 references

RTECS number

SA8050000

1 reference

imported from Wikimedia project

French Wikipedia

ZVG number

13610

0 references

HSDB ID

5301

1 reference

stated in

Hazardous Substances Data Bank

HSDB ID

5301

publication date

28 October 2019

title

3-PENTANONE (English)

retrieved

10 May 2021

DSSTox substance ID

DTXSID6021820

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

FDPIMTJIUBPUKL-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID301820

0 references

NSC number

8653

0 references

EC number

202-490-3

1 reference

stated in

Global Substance Registration System

UNII

9SLZ98M9NK

language of work or name

English

title

diethyl ketone (English)

retrieved

19 November 2016

ECHA Substance Infocard ID

100.002.265

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.002.265

retrieved

27 December 2018

title

Pentan-3-one (English)

quotation

CAS no.: 96-22-0 (English)

OSHA Occupational Chemical Database ID

766

0 references

CosIng number

39538

1 reference

stated in

CosIng database

CosIng number

39538

retrieved

28 December 2019

title

DIETHYLKETONE (English)

quotation

CAS no.: 96-22-0 (English)

CDB Chemical ID

3969480

1 reference

stated in

UCI ChemDB

title

pentan-3-one (English)

retrieved

2 April 2016

reference URL

http://cdb.ics.uci.edu/cgibin/ChemicalDetailWeb.py?chemical_id=3969480

KNApSAcK ID

C00052694

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

FDPIMTJIUBPUKL-UHFFFAOYSA-N

UNII

9SLZ98M9NK

2 references

stated in

Global Substance Registration System

UNII

9SLZ98M9NK

language of work or name

English

title

diethyl ketone (English)

retrieved

19 November 2016

matched by identifier from

InChIKey

InChIKey

FDPIMTJIUBPUKL-UHFFFAOYSA-N

LIPID MAPS ID

LMFA12000001

1 reference

stated in

LIPID MAPS

reference URL

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

retrieved

30 June 2018

Freebase ID

/m/04g0s3

1 reference

stated in

Freebase Data Dumps

publication date

28 October 2013

HCIS ID

3385

0 references

Microsoft Academic ID

2778961504

0 references

 

Sitelinks

Wikipedia(19 entries)

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• azbwiki ۳-پنتانون
• dewiki 3-Pentanon
• elwiki 3-πεντανόνη
• enwiki 3-Pentanone
• eowiki 3-Pentanono
• eswiki 3-pentanona
• fawiki ۳-پنتانون
• fiwiki 3-pentanoni
• frwiki Pentan-3-one
• jawiki ジエチルケトン
• kowiki 3-펜탄온
• nlwiki 3-pentanon
• ptwiki 3-Pentanona
• rowiki 3-pentanonă
• shwiki 3-Pentanon
• simplewiki 3-Pentanone
• srwiki 3-Pentanon
• ukwiki Пентан-3-он
• zhwiki 3-戊酮

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)

edit

• commonswiki Category:3-Pentanone

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