(Q421486)

Diacetone alcohol (English)

diacetone alcohol exposure

6 October 2016

associated hazard

1 reference

chemical formula

C₆H₁₂O₂

1 reference

Diacetone alcohol (English)

6 October 2016

canonical SMILES

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

1 reference

Diacetone alcohol (English)

6 October 2016

density

0.94 gram per cubic centimetre

20 degree Celsius

1 reference

melting point

−47 degree Fahrenheit

2 references

Jean-Claude Bradley Open Melting Point Dataset

−44 degree Celsius

1 reference

Basic laboratory and industrial chemicals: A CRC quick reference handbook

boiling point

334 degree Fahrenheit

under pressure

760 torr

1 reference

167.9 degree Celsius

under pressure

101.325 kilopascal

1 reference

Basic laboratory and industrial chemicals: A CRC quick reference handbook

vapor pressure

1 millimetre of mercury

temperature

68 degree Fahrenheit

1 reference

determination method or standard

flash point

125 degree Fahrenheit

Pensky–Martens closed-cup test

1 reference

lower flammable limit

1.8 volume percent

1 reference

upper flammable limit

6.9 volume percent

1 reference

time-weighted average exposure limit

NIOSH Pocket Guide ID

0178

0 references

240 milligram per cubic metre

applies to jurisdiction

United States of America

duration

10 hour

1 reference

immediately dangerous to life or health

8,550 milligram per cubic metre

1 reference

found in taxon

Jasminum sambac

1 reference

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

Gossypium hirsutum

1 reference

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

liquorice

1 reference

Volatile flavor components of licorice

Asarum canadense

1 reference

Composition of the essential oil from Asarum canadense

Tamarix aphylla

1 reference

Antimicrobial Activity and Phytochemical Constituents of Leaf Extracts of Cassia auriculata

Streptomyces globisporus

1 reference

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

Angelica gigas

1 reference

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

Bistorta manshuriensis

1 reference

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

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

Ammodaucus leucotrichus

1 reference

Chemical constituents and antimicrobial activity of essential oils of Ammodaucus leucotricus

Annona muricata

1 reference

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

Nicotiana tabacum

1 reference

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

Camellia sinensis

1 reference

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

Capparis spinosa

1 reference

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

has characteristic

Class II combustible liquid

1 reference

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

Commons category

Diacetone alcohol

0 references

Identifiers

InChI

1 reference

Diacetone alcohol (English)

6 October 2016

2 references

Diacetone alcohol (English)

6 October 2016

ChEBI release 2020-09-01

2 references

diacetone alcohol (English)

6 October 2016

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

10 April 2021

1 reference

Diacetone alcohol (English)

6 October 2016

2 references

Diacetone alcohol (English)

6 October 2016

Reaxys registry number

1740440

1 reference

diacetone alcohol (English)

6 October 2016

ChEBI ID

55381

mapping relation type

2 references

diacetone alcohol (English)

6 October 2016

International Chemical Identifier

InChI

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

1 reference

CHEMBL3182048 (English)

6 October 2016

2 references

MSBNK-Fac_Eng_Univ_Tokyo-JP008599

1 reference

MassBank accession ID

0 references

SPLASH

splash10-052f-9000000000-8448b11a23b1992dae6d

0 references

NMRShiftDB structure ID

10020694

1 reference

imported from Wikimedia project

0 references

0 references

SA9100000

1 reference

English Wikipedia

ZVG number

22250

1 reference

imported from Wikimedia project

1 reference

Hazardous Substances Data Bank

28 October 2019

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

10 May 2021

2 references

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

DSSTOX compound identifier

0 references

0 references

1 reference

Global Substance Registration System

UNII

Q7WP157PTD

DIACETONE ALCOHOL (English)

ECHA Substance Infocard ID

6 October 2016

100.004.207

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.004.207

27 December 2018

OSHA Occupational Chemical Database ID

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

quotation

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

176

0 references

FL number

07.165

1 reference

quotation

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

23 January 2021

07.165

1 reference

28 December 2019

DIACETONE ALCOHOL (English)

quotation

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

PesticideInfo chemical ID

0 references

1 reference

Human Metabolome Database ID

HMDB0031511

2 references

based on heuristic

KNApSAcK ID

C00052715

2 references

based on heuristic

UNII

Q7WP157PTD

2 references

Global Substance Registration System

UNII

Q7WP157PTD

DIACETONE ALCOHOL (English)

6 October 2016

Natural Product Atlas ID

NPA001228

2 references

based on heuristic