Details
Stereochemistry | ACHIRAL |
Molecular Formula | C3H6O |
Molecular Weight | 58.0791 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)=O
InChI
InChIKey=CSCPPACGZOOCGX-UHFFFAOYSA-N
InChI=1S/C3H6O/c1-3(2)4/h1-2H3
Molecular Formula | C3H6O |
Molecular Weight | 58.0791 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Acetone (or propanone) is the smallest and simplest ketone, which is used in cosmetic as a nail polish remover. Acetone is produced within the body because of the breakdown of stored fats and lipids as a source of energy. Such conditions as physical exercise and prolonged dieting, which lead to cleavage of fat within the body, may result in higher than average amounts of acetone in the bloodstream. The concentration of acetone in the environment doesn’t cause a neurotoxic, carcinogenic, or reproductive health hazard effect. In addition, experiments on rodents have shown that acetone possesses anticonvulsant properties.
Approval Year
Cmax
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
1.01 mM EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/10353310/ |
5.5 mmol/h other, respiratory dose: 5.5 mmol/h route of administration: Respiratory experiment type: OTHER co-administered: |
ACETONE blood | Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN |
AUC
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
2.02 mM × h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/10353310/ |
5.5 mmol/h other, respiratory dose: 5.5 mmol/h route of administration: Respiratory experiment type: OTHER co-administered: |
ACETONE blood | Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN |
T1/2
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
4.3 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/10353310/ |
5.5 mmol/h other, respiratory dose: 5.5 mmol/h route of administration: Respiratory experiment type: OTHER co-administered: |
ACETONE blood | Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN |
Overview
CYP3A4 | CYP2C9 | CYP2D6 | hERG |
---|---|---|---|
Drug as perpetrator
Target | Modality | Activity | Metabolite | Clinical evidence |
---|---|---|---|---|
weak [Inhibition 134986 uM] | ||||
Sources: https://pubmed.ncbi.nlm.nih.gov/20729275/ Page: 2.0 |
yes [Inhibition 134986 uM] | |||
yes [Inhibition 134986 uM] | ||||
yes [Inhibition 134986 uM] | ||||
yes [Inhibition 134986 uM] | ||||
yes |
PubMed
Title | Date | PubMed |
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Galactomannans as a sieving matrix in capillary electrophoresis. | 2001 |
|
Isolation and characterization of rheumatoid arthritis synovial fibroblasts from primary culture--primary culture cells markedly differ from fourth-passage cells. | 2001 |
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The mode of toxic action of the pesticide gliftor: the metabolism of 1,3-difluoroacetone to (-)-erythro-fluorocitrate. | 2001 |
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Direct and sensitized photoprocesses of bis-benzimidazole dyes and the effects of surfactants and DNA. | 2001 Apr |
|
Phenolic constituents from the core of kenaf (Hibiscus cannabinus). | 2001 Apr |
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Oxidative stress, microsomal and peroxisomal fatty acid oxidation in the liver of rats treated with acetone. | 2001 Apr |
|
Purification and N-terminal amino acid sequence of fructose-6-phosphate phosphoketolase from Bifidobacterium longum BB536. | 2001 Apr |
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Comparing conventional and acetone-precipitated dog allergen extract skin testing. | 2001 Apr |
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Purification, N-terminal amino acid sequence, and some properties of Cu, Zn-superoxide dismutase from Japanese flounder (Paralichthys olivaceus) hepato-pancreas. | 2001 Apr |
|
An investigation on the biological activity of Combretum species. | 2001 Apr |
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Determination of 1-aminopropan-2-one, a dissolved sewage component, in water samples. | 2001 Apr |
|
Volatile ketone formation in bacteria: release of 3-oxopentanoate by soil pseudomonads during growth on heptanoate. | 2001 Apr |
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Parallel synthesis of novel heteroaromatic acromelic acid analogues from kainic acid. | 2001 Apr 20 |
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Kinetics of the lipase-catalyzed synthesis of glucose esters in acetone. | 2001 Apr 20 |
|
Validated gas chromatographic-mass spectrometric assay for determination of the antifreezes ethylene glycol and diethylene glycol in human plasma after microwave-assisted pivalylation. | 2001 Apr 25 |
|
Activation of enzymes for nonaqueous biocatalysis by denaturing concentrations of urea. | 2001 Apr 7 |
|
Synthesis, expression and characterisation of peptides comprised of perfect repeat motifs based on a wheat seed storage protein. | 2001 Apr 7 |
|
Prandtl-number dependence of heat transport in turbulent Rayleigh-Bénard convection. | 2001 Apr 9 |
|
Structure of hydroxynitrile lyase from Manihot esculenta in complex with substrates acetone and chloroacetone: implications for the mechanism of cyanogenesis. | 2001 Feb |
|
CO(2)-controlled sampling of alveolar gas in mechanically ventilated patients. | 2001 Feb |
|
The first acetimine gold(I) and gold(III) complexes and the first acetonine complexes. | 2001 Feb 2 |
|
Proline-catalyzed asymmetric aldol reactions between ketones and alpha-unsubstituted aldehydes. | 2001 Feb 22 |
|
Dansylation of hydroxyl and carboxylic acid functional groups. | 2001 Feb 26 |
|
Experimental and computational mapping of the binding surface of a crystalline protein. | 2001 Jan |
|
A technique for preserving pigmentation in some capsalid monogeneans for taxonomic purposes. | 2001 Jan |
|
N(delta)-(5-hydroxy-4,6-dimethylpyrimidine-2-yl)-l-ornithine, a novel methylglyoxal-arginine modification in beer. | 2001 Jan |
|
Molybdenum determination in iron matrices by ICP-AES after separation and preconcentration using polyurethane foam. | 2001 Jan 2 |
|
Characterizing the performance of industrial-scale columns. | 2001 Jan 26 |
|
Isolation and characterization of a new ribosome inactivating protein, momorgrosvin, from seeds of the monk's fruit Momordica grosvenorii. | 2001 Jan 5 |
|
Isolation and characterization of a protein from Mendole (Spicara maena) eggs that binds to DNA and inhibits its replication as well as its acid precipitation. | 2001 Jan-Feb |
|
Comparative hemolytic activity of undiluted organic water-miscible solvents for intravenous and intra-arterial injection. | 2001 Jan-Feb |
|
Hemin (Fe(3+))-- and heme (Fe(2+))--smectite conjugates as a model of hemoprotein based on spectrophotometry. | 2001 Jan-Feb |
|
Effects of carbodiimide crosslinking conditions on the physical properties of laminated intestinal submucosa. | 2001 Jul |
|
Use of solvents in industries in Korea: experience in Sinpyeong-Jangrim industrial complex. | 2001 Mar |
|
Evidence for toxic effects of alkylphenols from Ginkgo biloba in the hen's egg test (HET). | 2001 Mar |
|
Antinociceptive activity of Malvastrum coromandelinum. | 2001 Mar |
|
Ketone bodies in milk and blood of dairy cows: relationship between concentrations and utilization for detection of subclinical ketosis. | 2001 Mar |
|
Determination of acetone in cow milk by Fourier transform infrared spectroscopy for the detection of subclinical ketosis. | 2001 Mar |
|
Sensitive indoor air monitoring of formaldehyde and other carbonyl compounds using the 2,4-dinitrophenylhydrazine method. | 2001 Mar |
|
Routine formaldehyde fixation irreversibly reduces immunoreactivity of Bcl-2 in the nuclear compartment of breast cancer cells, but not in the cytoplasm. | 2001 Mar |
|
Headspace analysis of engine oil by gas chromatography/mass spectrometry. | 2001 Mar 15 |
|
Influence of alkyl substitution on the gas-phase stability of 1-adamantyl cation and on the solvent effects in the solvolysis of 1-bromoadamantane. | 2001 Mar 23 |
|
Recent chemical exposures and blood volatile organic compound levels in a large population-based sample. | 2001 Mar-Apr |
|
Preparation and characterization of hCG-loaded polylactide or poly(lactide-co-glycolide) microspheres using a modified water-in-oil-in-water (w/o/w) emulsion solvent evaporation technique. | 2001 Mar-Apr |
|
Involvement of lipid peroxidation in spontaneous pancreatitis in WBN/Kob rats. | 2001 May |
|
Mechanistic aspects of cyanogenesis from active-site mutant Ser80Ala of hydroxynitrile lyase from Manihot esculenta in complex with acetone cyanohydrin. | 2001 May |
|
A new rapid immunohistochemical staining technique using the EnVision antibody complex. | 2001 May |
|
Enhanced resolution of membranes in cultured cells by cryoimmobilization and freeze-substitution. | 2001 May 15 |
|
New selectivity in peptide hydrolysis by metal complexes. Platinum(II) complexes promote cleavage of peptides next to the tryptophan residue. | 2001 May 7 |
|
A mechanistic study of the reaction between a diiron(II) complex [FeII(2)(mu-OH)2(6-Me3-TPA)2](2+) and O2 to form a diiron(III) peroxo complex. | 2001 May 7 |
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 16 16:12:26 UTC 2022
by
admin
on
Fri Dec 16 16:12:26 UTC 2022
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Record UNII |
1364PS73AF
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Record Status |
Validated (UNII)
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Record Version |
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Classification Tree | Code System | Code | ||
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CFR |
21 CFR 173.210
Created by
admin on Fri Dec 16 16:12:26 UTC 2022 , Edited by admin on Fri Dec 16 16:12:26 UTC 2022
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CFR |
21 CFR 175.320
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admin on Fri Dec 16 16:12:26 UTC 2022 , Edited by admin on Fri Dec 16 16:12:26 UTC 2022
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JECFA EVALUATION |
ACETONE
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admin on Fri Dec 16 16:12:26 UTC 2022 , Edited by admin on Fri Dec 16 16:12:26 UTC 2022
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LOINC |
30574-8
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admin on Fri Dec 16 16:12:26 UTC 2022 , Edited by admin on Fri Dec 16 16:12:26 UTC 2022
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EPA PESTICIDE CODE |
44101
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LOINC |
76524-8
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178
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PRIMARY | RxNorm | ||
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CHEMBL14253
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135802
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M1335
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PRIMARY | Merck Index | ||
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200-662-2
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SUB12712MIG
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40
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15347
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C45678
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CONCEPT | Industrial Aid | ||
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1364PS73AF
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ACETONE
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D000096
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DTXSID8021482
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C29807
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1006801
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67-64-1
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1364PS73AF
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180
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Related Record | Type | Details | ||
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METABOLIC ENZYME -> INDUCER |
Related Record | Type | Details | ||
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (GC)
USP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (GC)
EP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (GC)
EP
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (GC)
USP
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PARENT -> IMPURITY | |||
|
PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (GC)
USP
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|
PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (GC)
EP
|
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (GC)
USP
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (GC)
USP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (GC)
EP
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Related Record | Type | Details | ||
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ACTIVE MOIETY |