Page last updated: 2024-12-06

diacetone alcohol

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

Description

diacetone alcohol: skin irritant & catalyst for the resin used in fiberglass manufacture [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

diacetone alcohol : A beta-hydroxy ketone formed by hydroxylation of 4-methylpentan-2-one at the 4-position. It has been isolated from Achnatherum robustum. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

FloraRankFlora DefinitionFamilyFamily Definition
Achnatherumgenus[no description available]PoaceaeA large family of narrow-leaved herbaceous grasses of the order Cyperales, subclass Commelinidae, class Liliopsida (monocotyledons). Food grains (EDIBLE GRAIN) come from members of this family. RHINITIS, ALLERGIC, SEASONAL can be induced by POLLEN of many of the grasses.[MeSH]

Cross-References

ID SourceID
PubMed CID31256
CHEMBL ID3182048
CHEBI ID55381
SCHEMBL ID28494
MeSH IDM0214680

Synonyms (97)

Synonym
4-hydroxy-4-methyl-2-pentanone
4-hydroxy-4-methylpentan-2-one
123-42-2
4-hydroxy-4-methylpentanone
wln: qx1 & 1 & 1v1
diketone alcohol
2-methyl-2-pentanol-4-one
diacetone-alcool
nsc9005
diacetonalkohol
4-idrossi-4-metil-pentan-2-one
tyranton
acetonyldimethylcarbinol
4-hydroxy-2-keto-4-methylpentane
4-hydroxy-4-methyl-pentan-2-on(german, dutch)
pyranton a
nsc-9005
diacetonalcool
2-pentanone, 4-hydroxy-4-methyl-
diacetonalcohol
diacetone alcohol
inchi=1/c6h12o2/c1-5(7)4-6(2,3)8/h8h,4h2,1-3h
brn 1740440
diacetonalcool [italian]
4-idrossi-4-metil-pentan-2-one [italian]
4-hydroxy-4-methyl pentan-2-one
epa pesticide chemical code 033901
nsc 9005
ccris 6177
un1148
4-hydroxy-4-methyl-pentan-2-on [german, dutch]
dimethyl acetonyl carbinol
2-hydroxy-2-methyl-4-pentanone
diacetonyl alcohol
diacetonalcohol [dutch]
ai3-00045
einecs 204-626-7
diacetone alcohol [un1148] [flammable liquid]
diacetone
pyranton
hsdb 1152
diacetonalkohol [german]
caswell no. 280
diacetone-alcool [french]
4-hydroxy-4-methylpentanone-2
4-hydroxy-4-methyl-2-pentanone, 99%
CHEBI:55381 ,
diacetonealcool
A805073
4-methyl-4-oxidanyl-pentan-2-one
NCGC00249012-01
AKOS005721167
LMFA12000071
dtxsid6024917 ,
tox21_303479
cas-123-42-2
dtxcid304917
NCGC00257419-01
NCGC00258818-01
tox21_201266
H0272
STL146354
unii-q7wp157ptd
diacetone alcohol [un1148] [flammable liquid]
4-hydroxy-4-methyl-pentan-2-on
4-01-00-04023 (beilstein handbook reference)
q7wp157ptd ,
ec 204-626-7
FT-0624587
BBL027463
SCHEMBL28494
diacetone alcohol [mi]
4-hydroxy-4-methyl-2-pentanone [hsdb]
diacetone alcohol [inci]
4-hydroxy4-methyl-2-pentanone
4-hydroxy-4-methyl-pentan-2-one
4-methyl-2-pentanon-4-ol
4-methyl-4-hydroxy-2-pentanone
(ch3)2c(oh)ch2c(o)ch3
un 1148
pyraton
CHEMBL3182048
pentanone, 4-hydroxy-4-methyl-
J-515493
J-004939
4-hydroxy-4-methyl-2-pentanone, analytical standard
F0001-0366
mfcd00004471
diacetone alcohol, pharmaceutical secondary standard; certified reference material
diacetonalkohol(german)
hydroxy-4-methyl-2-pentanone
2-methyl-3-pentanol-4-one
Q421486
VS-08543
EN300-19341
diacetone alcohol, (flammable liquid label)
diacetone alcohol, (combustible liquid label)

Research Excerpts

Toxicity

ExcerptReferenceRelevance
" We estimated oral-dose LD50 by the Up-and-Down method."( Diacetone alcohol, a dispersant solvent, contributes to acute toxicity of a fipronil-based insecticide in a passerine bird.
Astheimer, LB; Buttemer, WA; Kitulagodage, M, 2008
)
1.79
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Roles (1)

RoleDescription
plant metaboliteAny eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Drug Classes (1)

ClassDescription
beta-hydroxy ketoneA ketone containing a hydroxy group on the beta-carbon relative to the C=O group.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (3)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
retinoic acid nuclear receptor alpha variant 1Homo sapiens (human)Potency44.67660.003041.611522,387.1992AID1159552; AID1159555
estrogen nuclear receptor alphaHomo sapiens (human)Potency1.11480.000229.305416,493.5996AID743075
Histone H2A.xCricetulus griseus (Chinese hamster)Potency51.33970.039147.5451146.8240AID1224845
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (10)

TimeframeStudies, This Drug (%)All Drugs %
pre-19901 (10.00)18.7374
1990's0 (0.00)18.2507
2000's5 (50.00)29.6817
2010's4 (40.00)24.3611
2020's0 (0.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 58.93

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be very strong demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index58.93 (24.57)
Research Supply Index2.48 (2.92)
Research Growth Index4.26 (4.65)
Search Engine Demand Index92.73 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (58.93)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies1 (9.09%)4.05%
Observational0 (0.00%)0.25%
Other10 (90.91%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]