isopentyl methyl ketone (Q2152381)

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chemical compound

• Isoamyl methyl ketone
• Isopentyl methyl ketone
• 2-Methyl-5-hexanone
• 5-Methyl-2-hexanone
• MIAK
• (CH3)2CHCH2CH2COCH3
• 5-Methylhexan-2-one [UN2302] [Flammable liquid]
• Isobutylacetone
• Ketone, methyl isoamyl
• 5-Methylhexan-2-one
• Methyl isopentyl ketone
• Methyl isoamyl ketone
• 2-hexanone-5-methyl

edit

Language	Label	Description	Also known as
English	isopentyl methyl ketone	chemical compound	Isoamyl methyl ketone Isopentyl methyl ketone 2-Methyl-5-hexanone 5-Methyl-2-hexanone MIAK (CH3)2CHCH2CH2COCH3 5-Methylhexan-2-one [UN2302] [Flammable liquid] Isobutylacetone Ketone, methyl isoamyl 5-Methylhexan-2-one Methyl isopentyl ketone Methyl isoamyl ketone 2-hexanone-5-methyl

Statements

instance of

type of chemical entity

0 references

subclass of

oxygenated hydrocarbon

0 references

chemical structure

Structural formula of 5-methyl-2-hexanone.svg
311 × 163; 8 KB

0 references

mass

114.104±0 dalton

1 reference

stated in

PubChem

PubChem CID

8034

language of work or name

English

title

5-METHYL-2-HEXANONE (English)

retrieved

9 October 2016

associated hazard

methyl isoamyl ketone exposure

0 references

has effect

methyl isoamyl ketone exposure

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0421.html

chemical formula

C₇H₁₄O

1 reference

stated in

PubChem

PubChem CID

8034

language of work or name

English

title

5-METHYL-2-HEXANONE (English)

retrieved

20 November 2016

canonical SMILES

CC(C)CCC(=O)C

1 reference

stated in

PubChem

PubChem CID

8034

language of work or name

English

title

5-METHYL-2-HEXANONE (English)

retrieved

20 November 2016

ionization energy

9.284±0.001 electronvolt

series ordinal

1

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0421.html

density

0.81±0.01 gram per cubic centimetre

temperature

20±1 degree Celsius

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0421.html

melting point

−101±1 degree Fahrenheit

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0421.html

−74.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

−73.9 degree Celsius

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

boiling point

291±1 degree Fahrenheit

under pressure

760±1 torr

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0421.html

144 degree Celsius

under pressure

101.325 kilopascal

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

vapor pressure

5±1 millimetre of mercury

temperature

68±1 degree Fahrenheit

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0421.html

solubility

0.5±0.1 gram per 100 gram of solvent

temperature

68±1 degree Fahrenheit

solvent

water

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0421.html

flash point

97±1 degree Fahrenheit

determination method or standard

Pensky–Martens closed-cup test

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0421.html

lower flammable limit

1±1 volume percent

temperature

200±1 degree Fahrenheit

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0421.html

upper flammable limit

8.2±0.1 volume percent

temperature

200±1 degree Fahrenheit

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0421.html

NIOSH Pocket Guide ID

0421

0 references

time-weighted average exposure limit

240±1 milligram per cubic metre

applies to jurisdiction

no value

duration

10±1 hour

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0421.html

475±1 milligram per cubic metre

applies to jurisdiction

United States of America

duration

8±1 hour

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0421.html

found in taxon

tomato

1 reference

stated in

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

Zingiber officinale

1 reference

stated in

Determination of volatile components in ginger using gas chromatography-mass spectrometry with resolution improved by data processing techniques

has characteristic

Class IC flammable liquid

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0421.html

Commons category

5-Methylhexan-2-one

0 references

Identifiers

InChI

InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3

1 reference

stated in

PubChem

PubChem CID

8034

language of work or name

English

title

5-METHYL-2-HEXANONE (English)

retrieved

20 November 2016

InChIKey

FFWSICBKRCICMR-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

8034

language of work or name

English

title

5-METHYL-2-HEXANONE (English)

retrieved

20 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

110-12-3

2 references

stated in

Global Substance Registration System

UNII

6O4A4A5F28

language of work or name

English

title

isopentyl methyl ketone (English)

retrieved

20 November 2016

InChIKey

FFWSICBKRCICMR-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=110-12-3

ChemSpider ID

7743

1 reference

stated in

ChemSpider

ChemSpider ID

7743

language of work or name

English

title

5-Methyl-2-hexanone (English)

retrieved

20 November 2016

PubChem CID

8034

2 references

stated in

PubChem

PubChem CID

8034

language of work or name

English

title

5-METHYL-2-HEXANONE (English)

retrieved

20 November 2016

matched by identifier from

InChIKey

InChIKey

FFWSICBKRCICMR-UHFFFAOYSA-N

ChEBI ID

88432

mapping relation type

exact match

2 references

stated in

ChEMBL

ChEMBL ID

CHEMBL45354

language of work or name

English

title

CHEMBL45354 (English)

retrieved

20 November 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3

ChEMBL ID

CHEMBL45354

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL45354

language of work or name

English

title

CHEMBL45354 (English)

retrieved

20 November 2016

SureChEMBL ID

SCHEMBL35996

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

FFWSICBKRCICMR-UHFFFAOYSA-N

UniChem compound ID

527261

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP000263

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP001807

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP009757

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP008598

0 references

SPLASH

splash10-052f-9000000000-dbf6e4e2149ba1271e57

0 references

splash10-0006-9000000000-40a76a6003700e807547

0 references

splash10-0a4l-9000000000-b38c5127376d7279ee3b

0 references

splash10-0006-9000000000-fee4d6523daaedc7f2a2

0 references

NMRShiftDB structure ID

20097620

1 reference

matched by identifier from

InChIKey

InChIKey

FFWSICBKRCICMR-UHFFFAOYSA-N

ICSC ID

0815

0 references

CAMEO Chemicals ID

3939

0 references

RTECS number

MP3850000

0 references

ZVG number

21750

0 references

HSDB ID

2885

1 reference

stated in

Hazardous Substances Data Bank

HSDB ID

2885

publication date

28 October 2019

title

5-METHYL-2-HEXANONE (English)

retrieved

10 May 2021

DSSTox substance ID

DTXSID5021914

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

FFWSICBKRCICMR-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID801914

0 references

EC number

203-737-8

1 reference

stated in

Global Substance Registration System

UNII

6O4A4A5F28

language of work or name

English

title

isopentyl methyl ketone (English)

retrieved

20 November 2016

ECHA Substance Infocard ID

100.003.399

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.003.399

retrieved

27 December 2018

title

5-methylhexan-2-one (English)

quotation

CAS no.: 110-12-3 (English)

OSHA Occupational Chemical Database ID

108

0 references

PesticideInfo chemical ID

PRI712

0 references

Human Metabolome Database ID

HMDB0031549

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

FFWSICBKRCICMR-UHFFFAOYSA-N

KNApSAcK ID

C00052167

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

FFWSICBKRCICMR-UHFFFAOYSA-N

UNII

6O4A4A5F28

2 references

stated in

Global Substance Registration System

UNII

6O4A4A5F28

language of work or name

English

title

isopentyl methyl ketone (English)

retrieved

20 November 2016

matched by identifier from

InChIKey

InChIKey

FFWSICBKRCICMR-UHFFFAOYSA-N

LIPID MAPS ID

LMFA12000037

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/120sk3w5

0 references

HCIS ID

3017

0 references

 

Sitelinks

Wikipedia(4 entries)

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• dewiki 5-Methyl-2-hexanon
• eowiki Metila izopentila ketono
• fiwiki Metyyli-isoamyyliketoni
• nlwiki 5-methyl-2-hexanon

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:5-Methylhexan-2-one

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