diacetone alcohol (Q421486)

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chemical compound

• 4-hydroxy-4-methylpentan-2-one
• 4-hydroxy-4-methyl-2-pentanone
• 2-methyl-2-pentanol-4-one
• dimethyl acetonyl carbinol
• diacetonyl alcohol
• acetonyldimethylcarbinol
• 4-hydroxy-2-keto-4-methylpentane

edit

Language	Label	Description	Also known as
default for all languages	No label defined	–	DAA
English	diacetone alcohol	chemical compound	4-hydroxy-4-methylpentan-2-one 4-hydroxy-4-methyl-2-pentanone 2-methyl-2-pentanol-4-one dimethyl acetonyl carbinol diacetonyl alcohol acetonyldimethylcarbinol 4-hydroxy-2-keto-4-methylpentane

Statements

instance of

type of chemical entity

0 references

subclass of

fatty alcohol

0 references

biogenic acyclic ketone

0 references

oxygenated hydrocarbon

0 references

chemical structure

Diacetonalkohol V.1.svg
220 × 103; 5 KB

1 reference

imported from Wikimedia project

German Wikipedia

mass

116.084 dalton

1 reference

stated in

PubChem

PubChem CID

31256

language of work or name

English

title

Diacetone alcohol (English)

retrieved

6 October 2016

associated hazard

diacetone alcohol exposure

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0178.html

chemical formula

C₆H₁₂O₂

1 reference

stated in

PubChem

PubChem CID

31256

language of work or name

English

title

Diacetone alcohol (English)

retrieved

6 October 2016

canonical SMILES

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

1 reference

stated in

PubChem

PubChem CID

31256

language of work or name

English

title

Diacetone alcohol (English)

retrieved

6 October 2016

density

0.94 gram per cubic centimetre

temperature

20 degree Celsius

phase of matter

liquid

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0178.html

melting point

−47 degree Fahrenheit

2 references

reference URL

http://www.cdc.gov/niosh/npg/npgd0178.html

stated in

Jean-Claude Bradley Open Melting Point Dataset

−44 degree Celsius

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

boiling point

334 degree Fahrenheit

under pressure

760 torr

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0178.html

167.9 degree Celsius

under pressure

101.325 kilopascal

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

vapor pressure

1 millimetre of mercury

temperature

68 degree Fahrenheit

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0178.html

flash point

125 degree Fahrenheit

determination method or standard

Pensky–Martens closed-cup test

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0178.html

lower flammable limit

1.8 volume percent

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0178.html

upper flammable limit

6.9 volume percent

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0178.html

NIOSH Pocket Guide ID

0178

0 references

time-weighted average exposure limit

240 milligram per cubic metre

applies to jurisdiction

United States of America

duration

10 hour

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0178.html

immediately dangerous to life or health

8,550 milligram per cubic metre

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0178.html

found in taxon

Jasminum sambac

1 reference

stated in

Formation of Flower Fragrance Compounds from Their Precursors by Enzymic Action during Flower Opening

Gossypium hirsutum

1 reference

stated in

Survey of the volatile constituents of cotton lint and waste with regard to byssinosis

liquorice

1 reference

stated in

Volatile flavor components of licorice

Asarum canadense

1 reference

stated in

Composition of the essential oil from Asarum canadense

Tamarix aphylla

1 reference

stated in

Antimicrobial Activity and Phytochemical Constituents of Leaf Extracts of Cassia auriculata

Streptomyces globisporus

1 reference

stated in

Identification of volatile metabolites from rice fermented by the fungusMonascus purpureus (Ang-kak)

Angelica gigas

1 reference

stated in

Optimized conditions for the extraction of secondary volatile metabolites in Angelica roots by accelerated solvent extraction

Bistorta manshuriensis

1 reference

stated in

Determination of the volatile fraction of Polygonum bistorta L. at different growing stages and evaluation of its antimicrobial activity against two major honeybee (Apis mellifera) pathogens

Streptomyces olivaceus

1 reference

stated in

Metabolic products of microorganisms, 256. Pyrrolams, new pyrrolizidinones produced byStreptomyces olivaceus

Ammodaucus leucotrichus

1 reference

stated in

Chemical constituents and antimicrobial activity of essential oils of Ammodaucus leucotricus

Annona muricata

1 reference

stated in

Equilibrium headspace analysis of volatile flavor compounds extracted from soursop (Annona muricata) using solid-phase microextraction

Nicotiana tabacum

1 reference

stated in

Extraction of essential oil from discarded tobacco leaves by solvent extraction and steam distillation, and identification of its chemical composition

Camellia sinensis

1 reference

stated in

Metabolite profiling of Camellia sinensis by automated sequential, multidimensional gas chromatography/mass spectrometry reveals strong monsoon effects on tea constituents

Capparis spinosa

1 reference

stated in

Nematicidal activity of 2-thiophenecarboxaldehyde and methylisothiocyanate from caper (Capparis spinosa) against Meloidogyne incognita

has characteristic

Class II combustible liquid

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0178.html

Commons category

Diacetone alcohol

0 references

Identifiers

InChI

InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3

1 reference

stated in

PubChem

PubChem CID

31256

language of work or name

English

title

Diacetone alcohol (English)

retrieved

6 October 2016

InChIKey

SWXVUIWOUIDPGS-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

31256

language of work or name

English

title

Diacetone alcohol (English)

retrieved

6 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

123-42-2

2 references

stated in

ChEBI

ChEBI ID

55381

language of work or name

English

title

diacetone alcohol (English)

retrieved

6 October 2016

InChIKey

SWXVUIWOUIDPGS-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

10 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=123-42-2

ChemSpider ID

13838151

1 reference

stated in

ChemSpider

ChemSpider ID

13838151

language of work or name

English

title

Diacetone alcohol (English)

retrieved

6 October 2016

PubChem CID

31256

2 references

stated in

PubChem

PubChem CID

31256

language of work or name

English

title

Diacetone alcohol (English)

retrieved

6 October 2016

matched by identifier from

InChIKey

InChIKey

SWXVUIWOUIDPGS-UHFFFAOYSA-N

Reaxys registry number

1740440

1 reference

stated in

ChEBI

ChEBI ID

55381

language of work or name

English

title

diacetone alcohol (English)

retrieved

6 October 2016

ChEBI ID

55381

mapping relation type

exact match

2 references

stated in

ChEBI

ChEBI ID

55381

language of work or name

English

title

diacetone alcohol (English)

retrieved

6 October 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3

ChEMBL ID

CHEMBL3182048

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL3182048

language of work or name

English

title

CHEMBL3182048 (English)

retrieved

6 October 2016

SureChEMBL ID

SCHEMBL28494

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

SWXVUIWOUIDPGS-UHFFFAOYSA-N

UniChem compound ID

1099762

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP008599

0 references

SPLASH

splash10-052f-9000000000-8448b11a23b1992dae6d

0 references

NMRShiftDB structure ID

10020694

1 reference

matched by identifier from

InChIKey

InChIKey

SWXVUIWOUIDPGS-UHFFFAOYSA-N

ICSC ID

0647

0 references

CAMEO Chemicals ID

509

0 references

RTECS number

SA9100000

1 reference

imported from Wikimedia project

English Wikipedia

ZVG number

22250

1 reference

imported from Wikimedia project

German Wikipedia

HSDB ID

1152

1 reference

stated in

Hazardous Substances Data Bank

HSDB ID

1152

publication date

28 October 2019

title

4-HYDROXY-4-METHYL-2-PENTANONE (English)

retrieved

10 May 2021

DSSTox substance ID

DTXSID6024917

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

SWXVUIWOUIDPGS-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID304917

0 references

NSC number

9005

0 references

EC number

204-626-7

1 reference

stated in

Global Substance Registration System

UNII

Q7WP157PTD

language of work or name

English

title

DIACETONE ALCOHOL (English)

retrieved

6 October 2016

ECHA Substance Infocard ID

100.004.207

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.004.207

retrieved

27 December 2018

title

4-hydroxy-4-methylpentan-2-one (English)

quotation

CAS no.: 123-42-2 (English)

OSHA Occupational Chemical Database ID

176

0 references

FL number

07.165

1 reference

quotation

CAS no.: 123-42-2 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

07.165

CosIng number

75628

1 reference

stated in

CosIng database

CosIng number

75628

retrieved

28 December 2019

title

DIACETONE ALCOHOL (English)

quotation

CAS no.: 123-42-2 (English)

PesticideInfo chemical ID

PRI2529

0 references

Cannabis Database ID

000590

1 reference

stated in

Cannabis Database

Human Metabolome Database ID

HMDB0031511

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

SWXVUIWOUIDPGS-UHFFFAOYSA-N

KNApSAcK ID

C00052715

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

SWXVUIWOUIDPGS-UHFFFAOYSA-N

UNII

Q7WP157PTD

2 references

stated in

Global Substance Registration System

UNII

Q7WP157PTD

language of work or name

English

title

DIACETONE ALCOHOL (English)

retrieved

6 October 2016

matched by identifier from

InChIKey

InChIKey

SWXVUIWOUIDPGS-UHFFFAOYSA-N

Natural Product Atlas ID

NPA001228

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

SWXVUIWOUIDPGS-UHFFFAOYSA-N

LIPID MAPS ID

LMFA12000071

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/026d8lj

1 reference

stated in

Freebase Data Dumps

publication date

28 October 2013

HCIS ID

2552

0 references

Microsoft Academic ID

2776977819

0 references

 

Sitelinks

Wikipedia(15 entries)

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• azbwiki دی‌استون الکول
• cswiki Diacetonalkohol
• dewiki Diacetonalkohol
• enwiki Diacetone alcohol
• fawiki دی‌استون الکل
• fiwiki Diasetonialkoholi
• frwiki Diacétone alcool
• huwiki Diaceton-alkohol
• jawiki ジアセトンアルコール
• nlwiki 4-hydroxy-4-methylpentan-2-on
• plwiki Alkohol diacetonowy
• ptwiki Diacetona álcool
• shwiki Diaceton alkohol
• srwiki Diaceton alkohol
• zhwiki 二丙酮醇

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:Diacetone alcohol

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