Compounds > diisobutyl ketone
Page last updated: 2024-12-05

diisobutyl ketone

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

Diisobutyl ketone (DIBK) is a colorless liquid with a characteristic ketone odor. It is a common solvent and is used in the production of various chemicals, including paints, resins, and pesticides. DIBK is typically synthesized through the aldol condensation of isobutyraldehyde, followed by dehydration and hydrogenation. Its high volatility and solubility make it a suitable solvent for a wide range of applications. While DIBK is generally considered safe, it can be irritating to the skin and eyes and should be handled with caution. DIBK is also a common component in some types of industrial wastewater, requiring proper treatment methods to prevent environmental contamination. Research on DIBK focuses on its use as a solvent, its environmental impact, and its potential for use in new chemical processes.'

Cross-References

ID SourceID
PubMed CID7958
CHEMBL ID3182186
CHEBI ID89195
SCHEMBL ID36990
MeSH IDM0154603

Synonyms (99)

Synonym
diisobutylketon(dutch, german)
nsc15136
nsc-15136
2,6-dimetil-eptan-4-one
s-diisopropylacetone
di-isobutylcetone
2, german)
diisobutilchetone
dibk
4-heptanone,6-dimethyl-
isovalerone
isobutyl ketone
2,6-dimethylheptan-4-one
108-83-8
diisobutyl ketone
2,6-dimethyl-4-heptanone
wln: 1y1 & 1v1y1 & 1
4-heptanone, 2,6-dimethyl-
inchi=1/c9h18o/c1-7(2)5-9(10)6-8(3)4/h7-8h,5-6h2,1-4h
4-heptanone,2,6-dimethyl diisobutyl,ketone
nsc406913
nsc-406913
nsc 15136
sec-diisopropyl acetone
ccris 6233
di-isobutylcetone [french]
2,6-dimethyl-heptan-4-on [dutch, german]
hsdb 527
heptanone, 2,6-dimethyl-, 4-
2,6-dimethylheptanone
diisobutylketon [dutch, german]
diisobutilchetone [italian]
diisobutyl ketone [un1157] [flammable liquid]
brn 1743163
2,6-dimethyl-4-heptanone (natural)
sym-diisopropylacetone
un1157
2,6-dimethyl-heptan-4-on [dutch,german]
ai3-11270
2,6-dimetil-eptan-4-one [italian]
einecs 203-620-1
fema no. 3537
caswell no. 355b
2,6-dimethyl-4-heptanone, >=99%
2,6-dimethyl-4-heptanone, technical grade
2,6-dimethyl-4-heptanone, 99%
2,6-dimethyl-4-heptanone, technical grade, 80%
valerone
diisobutylketone
D0733
2,6-dimethyl-heptan-4-on
68514-40-9
A801931
NCGC00249221-01
diisobutyl ketone [un1157] [flammable liquid]
diisobutylketon
v52w30h1bu ,
4-01-00-03360 (beilstein handbook reference)
unii-v52w30h1bu
ec 203-620-1
NCGC00256951-01
tox21_303091
dtxcid905080
dtxsid4025080 ,
cas-108-83-8
tox21_202406
NCGC00259955-01
AKOS005207129
2,6-dimethyl-heptan-4-one
STL163555
BBL012214
einecs 271-042-7
FT-0610689
diisobutyl ketone [hsdb]
cognac heptanone
sym-diisopropy lacetone
2,6-dimethyl-4-heptanone [fhfi]
SCHEMBL36990
(iso-c4h9)2co
un 1157
2,6-dimethylheptan-4-one (sum of 2,6-dimethyl-4-heptanone & 4,6-dimethyl-2-heptanone)
di-isobutyl ketone
2,6 -dimethyl-4 -heptanone
W-108711
CHEMBL3182186
chebi:89195 ,
mfcd00008940
fema 3537
diisopropylacetone
2,6-dimethyl-4-heptanone (diisobutyl ketone)
4-heptanone,2,6-dimethyl diisobutyl,ketone
2,5-dimethyl-4-heptanone
VS-03235
Q2416556
F93016
2,6-dimethyl-4-heptanone(diisobutyl ketone)
EN300-19773
diisobutylketone-13c4
2,6-dimethyl-4-heptanone, tech grade

Research Excerpts

Bioavailability

ExcerptReferenceRelevance
" Quantitative analysis of DIBC, DIBK, DIBC-alcohol, and DIBK-alcohol in blood samples collected from 5min to 120h after single dosing indicated the following: (1) DIBC and DIBK are both well absorbed following oral gavage with substantial evidence of enterohepatic recirculation of DIBK, DIBC, DIBK-alcohol, and DIBC-alcohol; (2) DIBK and DIBC are interconverted metabolically in rats; (3) DIBC and DIBK have similar bioavailability after oral administration; (4) higher systemic exposure was found for DIBK-alcohol than DIBC-alcohol, implying that DIBC-alcohol may be more easily conjugated and eliminated in bile."( Comparative metabolism and pharmacokinetics of diisobutyl ketone and diisobutyl carbinol in male SD rats.
Ball, NS; Bartels, MJ; Clark, AJ; Hughes, BJ; Lardie, TS; Markham, DA; Staley, JL; Zhang, F, 2015)		0.67

Dosage Studied

ExcerptRelevanceReference
" Dosing was via single oral gavage dosing in male SD rats, followed by blood collection, metabolite identification, major biomarker quantitation, and pharmacokinetics analysis."( Comparative metabolism and pharmacokinetics of diisobutyl ketone and diisobutyl carbinol in male SD rats.
Ball, NS; Bartels, MJ; Clark, AJ; Hughes, BJ; Lardie, TS; Markham, DA; Staley, JL; Zhang, F, 2015)		0.67
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
ketoneA compound in which a carbonyl group is bonded to two carbon atoms: R2C=O (neither R may be H).
[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 (5)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
retinoic acid nuclear receptor alpha variant 1Homo sapiens (human)Potency33.75490.003041.611522,387.1992AID1159552; AID1159555
retinoid X nuclear receptor alphaHomo sapiens (human)Potency62.28650.000817.505159.3239AID1159527
estrogen nuclear receptor alphaHomo sapiens (human)Potency18.43480.000229.305416,493.5996AID743075; AID743077; AID743079
peroxisome proliferator-activated receptor deltaHomo sapiens (human)Potency61.65240.001024.504861.6448AID743215
Histone H2A.xCricetulus griseus (Chinese hamster)Potency100.71500.039147.5451146.8240AID1224845
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (8)

TimeframeStudies, This Drug (%)All Drugs %
pre-19902 (25.00)18.7374
1990's1 (12.50)18.2507
2000's2 (25.00)29.6817
2010's3 (37.50)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: 41.81

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 strong demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index41.81 (24.57)
Research Supply Index2.20 (2.92)
Research Growth Index4.70 (4.65)
Search Engine Demand Index56.43 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (41.81)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies1 (12.50%)4.05%
Observational0 (0.00%)0.25%
Other7 (87.50%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
methanol
Methanol: A colorless, flammable liquid used in the manufacture of FORMALDEHYDE and ACETIC ACID, in chemical synthesis, antifreeze, and as a solvent. Ingestion of methanol is toxic and may cause blindness.. primary alcohol : A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.. methanol : The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group.		2.1110alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound		amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite
1-octanol
1-Octanol: A colorless, slightly viscous liquid used as a defoaming or wetting agent. It is also used as a solvent for protective coatings, waxes, and oils, and as a raw material for plasticizers. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). octan-1-ol : An octanol carrying the hydroxy group at position 1.		2.0710octanol;
primary alcohol		antifungal agent;
bacterial metabolite;
fuel additive;
kairomone;
plant metabolite
methyl isobutyl ketone
[no description available]		2.0710ketone
methylcyclohexane
methylcyclohexane: structure in first source. methylcyclohexane : A cycloalkane that is cyclohexane substituted by a single methyl group.		2.0310cycloalkane;
volatile organic compound		aprotic solvent;
human metabolite;
plant metabolite
diethylhexyl phthalate
Diethylhexyl Phthalate: An ester of phthalic acid. It appears as a light-colored, odorless liquid and is used as a plasticizer for many resins and elastomers.. bis(2-ethylhexyl) phthalate : A phthalate ester that is the bis(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid.		2.0710diester;
phthalate ester		androstane receptor agonist;
apoptosis inhibitor;
plasticiser
methyl n-butyl ketone
Methyl n-Butyl Ketone: An industrial solvent which causes nervous system degeneration. MBK is an acronym often used to refer to it.. hexanone : A ketone that is a hexane carrying an oxo substituent at unspecified position.		2.0710ketone
mercury
Mercury: A silver metallic element that exists as a liquid at room temperature. It has the atomic symbol Hg (from hydrargyrum, liquid silver), atomic number 80, and atomic weight 200.59. Mercury is used in many industrial applications and its salts have been employed therapeutically as purgatives, antisyphilitics, disinfectants, and astringents. It can be absorbed through the skin and mucous membranes which leads to MERCURY POISONING. Because of its toxicity, the clinical use of mercury and mercurials is diminishing.. mercury(0) : Elemental mercury of oxidation state zero.		1.9810elemental mercury;
zinc group element atom		neurotoxin
platinum
Platinum: A heavy, soft, whitish metal, resembling tin, with atomic number 78, atomic weight 195.084, symbol Pt. It is used in manufacturing equipment for laboratory and industrial use. It occurs as a black powder (platinum black) and as a spongy substance (spongy platinum) and may have been known in Pliny's time as alutiae.		2.0710elemental platinum;
nickel group element atom;
platinum group metal atom
angiotensin ii
Giapreza: injectable form of angiotensin II used to increase blood pressure in adult patients with septic or other distributive shock. Ile(5)-angiotensin II : An angiotensin II that acts on the central nervous system (PDB entry: 1N9V).		2.0710amino acid zwitterion;
angiotensin II		human metabolite
enkephalin, leucine
Enkephalin, Leucine: One of the endogenous pentapeptides with morphine-like activity. It differs from MET-ENKEPHALIN in the LEUCINE at position 5. Its first four amino acid sequence is identical to the tetrapeptide sequence at the N-terminal of BETA-ENDORPHIN.. Leu-enkephalin : A pentapeptide comprising L-tyrosine, glycine, glycine, L-phenylalanine and L-leucine residues joined in sequence by peptide linkages. It is an endogenous opioid peptide produced in vertebrate species, including rodents, primates and humans that results from decomposition of proenkephalin or dynorphin and exhibits antinociceptive properties.		2.0710pentapeptide;
peptide zwitterion		analgesic;
delta-opioid receptor agonist;
human metabolite;
mu-opioid receptor agonist;
neurotransmitter;
rat metabolite
endomorphin 1
endomorphin 1: isolated from bovine brain		2.0710oligopeptide
ConditionIndicatedRelationship StrengthStudiesTrials
Brain Disorders
[description not available]		01.9810
Diseases, Occupational
[description not available]		01.9810
Brain Diseases
Pathologic conditions affecting the BRAIN, which is composed of the intracranial components of the CENTRAL NERVOUS SYSTEM. This includes (but is not limited to) the CEREBRAL CORTEX; intracranial white matter; BASAL GANGLIA; THALAMUS; HYPOTHALAMUS; BRAIN STEM; and CEREBELLUM.		01.9810
Body Weight
The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.		01.9710
Nephrosis
Pathological processes of the KIDNEY without inflammatory or neoplastic components. Nephrosis may be a primary disorder or secondary complication of other diseases. It is characterized by the NEPHROTIC SYNDROME indicating the presence of PROTEINURIA and HYPOALBUMINEMIA with accompanying EDEMA.		06.9710