diisobutyl ketone (Q2416556)

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chemical compound

• DIBK
• sym-Diisopropyl acetone
• 2,6-Dimethyl-4-heptanone
• Isovalerone
• Valerone
• Isobutyl N-propyl ketone
• 4-Heptanone, 2-methyl-
• 2-methyl-4-heptanone
• Isobutyl propyl ketone
• 2-Methylheptan-4-one

edit

Language	Label	Description	Also known as
English	diisobutyl ketone	chemical compound	DIBK sym-Diisopropyl acetone 2,6-Dimethyl-4-heptanone Isovalerone Valerone Isobutyl N-propyl ketone 4-Heptanone, 2-methyl- 2-methyl-4-heptanone Isobutyl propyl ketone 2-Methylheptan-4-one

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

chemical structure

Structural formula of diisobutyl ketone.svg
354 × 113; 10 KB

0 references

image of molecular model or crystal lattice model

Diisobutyl ketone 3D ball.png
3,926 × 1,824; 343 KB

depicts

ball-and-stick model

0 references

mass

142.136±0 dalton

1 reference

stated in

PubChem

PubChem CID

7958

language of work or name

English

title

2,6-Dimethyl-4-heptanone (English)

retrieved

9 October 2016

associated hazard

diisobutyl ketone exposure

0 references

has effect

diisobutyl ketone exposure

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0216.html

chemical formula

C₉H₁₈O

1 reference

stated in

PubChem

PubChem CID

7958

language of work or name

English

title

2,6-Dimethyl-4-heptanone (English)

retrieved

19 November 2016

canonical SMILES

CC(C)CC(=O)CC(C)C

1 reference

stated in

PubChem

PubChem CID

7958

language of work or name

English

title

2,6-Dimethyl-4-heptanone (English)

retrieved

19 November 2016

ionization energy

9.04±0.01 electronvolt

series ordinal

1

2 references

reference URL

http://www.cdc.gov/niosh/npg/npgd0216.html

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

density

0.81±0.01 gram per cubic centimetre

temperature

20±1 degree Celsius

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0216.html

melting point

−43±1 degree Fahrenheit

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0216.html

−42.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

−41.5 degree Celsius

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

boiling point

334±1 degree Fahrenheit

under pressure

760±1 torr

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0216.html

169.4 degree Celsius

under pressure

101.325 kilopascal

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

vapor pressure

2±1 millimetre of mercury

temperature

68±1 degree Fahrenheit

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0216.html

solubility

0.05±0.01 gram per 100 gram of solvent

temperature

68±1 degree Fahrenheit

solvent

water

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0216.html

flash point

120±1 degree Fahrenheit

determination method or standard

Pensky–Martens closed-cup test

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0216.html

lower flammable limit

0.8±0.1 volume percent

temperature

200±1 degree Fahrenheit

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0216.html

upper flammable limit

7.1±0.1 volume percent

temperature

200±1 degree Fahrenheit

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0216.html

NIOSH Pocket Guide ID

0216

0 references

time-weighted average exposure limit

150±1 milligram per cubic metre

applies to jurisdiction

no value

duration

10±1 hour

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0216.html

290±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/npgd0216.html

immediately dangerous to life or health

2,910±10 milligram per cubic metre

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0216.html

found in taxon

Prunus avium

1 reference

stated in

Free and glycosidically bound aroma compounds in cherry (Prunus avium L.).

has characteristic

Class II combustible liquid

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0216.html

Commons category

Diisobutyl ketone

0 references

Identifiers

InChI

InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3

1 reference

stated in

PubChem

PubChem CID

7958

language of work or name

English

title

2,6-Dimethyl-4-heptanone (English)

retrieved

19 November 2016

InChIKey

PTTPXKJBFFKCEK-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

7958

language of work or name

English

title

2,6-Dimethyl-4-heptanone (English)

retrieved

19 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

108-83-8

2 references

stated in

Global Substance Registration System

UNII

V52W30H1BU

language of work or name

English

title

diisobutyl ketone (English)

retrieved

19 November 2016

InChIKey

PTTPXKJBFFKCEK-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=108-83-8

ChemSpider ID

7670

1 reference

stated in

ChemSpider

ChemSpider ID

7670

language of work or name

English

title

2,6-Dimethyl-4-heptanone (English)

retrieved

19 November 2016

PubChem CID

7958

2 references

stated in

PubChem

PubChem CID

7958

language of work or name

English

title

2,6-Dimethyl-4-heptanone (English)

retrieved

19 November 2016

matched by identifier from

InChIKey

InChIKey

PTTPXKJBFFKCEK-UHFFFAOYSA-N

ChEBI ID

89195

mapping relation type

exact match

2 references

stated in

ChEMBL

ChEMBL ID

CHEMBL3182186

language of work or name

English

title

CHEMBL3182186 (English)

retrieved

19 November 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3

ChEMBL ID

CHEMBL3182186

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL3182186

language of work or name

English

title

CHEMBL3182186 (English)

retrieved

19 November 2016

SureChEMBL ID

SCHEMBL36990

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

PTTPXKJBFFKCEK-UHFFFAOYSA-N

UniChem compound ID

14522469

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP001808

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP007042

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP005828

0 references

SPLASH

splash10-052r-9100000000-9e44efa94d39c79fda18

0 references

splash10-0a4r-9000000000-1969d8f7cb8d04d73fe5

0 references

splash10-0a4r-9000000000-9fe0d157a8b7ac394c53

0 references

NMRShiftDB structure ID

10008780

1 reference

matched by identifier from

InChIKey

InChIKey

PTTPXKJBFFKCEK-UHFFFAOYSA-N

ICSC ID

0713

0 references

CAMEO Chemicals ID

3226

0 references

RTECS number

MJ5775000

0 references

ZVG number

22370

0 references

HSDB ID

527

1 reference

stated in

Hazardous Substances Data Bank

HSDB ID

527

publication date

28 October 2019

title

DIISOBUTYL KETONE (English)

retrieved

10 May 2021

DSSTox substance ID

DTXSID4025080

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

PTTPXKJBFFKCEK-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID905080

0 references

NSC number

15136

0 references

406913

0 references

EC number

203-620-1

1 reference

stated in

Global Substance Registration System

UNII

V52W30H1BU

language of work or name

English

title

diisobutyl ketone (English)

retrieved

19 November 2016

ECHA Substance Infocard ID

100.003.292

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.003.292

retrieved

27 December 2018

title

2,6-dimethylheptan-4-one (English)

quotation

CAS no.: 108-83-8 (English)

OSHA Occupational Chemical Database ID

86

0 references

FL number

07.122

1 reference

quotation

CAS no.: 108-83-8 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

07.122

CosIng number

39631

1 reference

stated in

CosIng database

CosIng number

39631

retrieved

28 December 2019

title

2,6-DIMETHYL-4-HEPTANONE (English)

quotation

CAS no.: 108-83-8 (English)

PesticideInfo chemical ID

PRI2702

0 references

Human Metabolome Database ID

HMDB0013821

0 references

HMDB0031417

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

PTTPXKJBFFKCEK-UHFFFAOYSA-N

KNApSAcK ID

C00059112

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

PTTPXKJBFFKCEK-UHFFFAOYSA-N

UNII

V52W30H1BU

2 references

stated in

Global Substance Registration System

UNII

V52W30H1BU

language of work or name

English

title

diisobutyl ketone (English)

retrieved

19 November 2016

matched by identifier from

InChIKey

InChIKey

PTTPXKJBFFKCEK-UHFFFAOYSA-N

Google Knowledge Graph ID

/g/1ym_l60dv

0 references

HCIS ID

1489

0 references

JECFA database ID

1772

0 references

JECFA number

302

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 2,6-Dimethylheptan-4-on
• fiwiki Di-isobutyyliketoni
• nlwiki Di-isobutylketon

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:Diisobutyl ketone

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