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 |
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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 |
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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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Normal embryonic stages of the longnose gar, Lepisosteus osseus. | 2001 |
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Changes in human lymphocyte subpopulations in tonsils and regional lymph nodes of human head and neck squamous carcinoma compared to control lymph nodes. | 2001 |
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Survey of transcripts in the adult Drosophila brain. | 2001 |
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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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Ultrasonic effects on electroorganic processes--Part 20. Photocatalytic oxidation of aliphatic alcohols in aqueous suspension of TiO2 powder. | 2001 Apr |
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Phenolic constituents from the core of kenaf (Hibiscus cannabinus). | 2001 Apr |
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Ab initio molecular orbital study of reactivity of active alkyl groups. IV. Nitrosation of acyclic carbonyl compound with methyl nitrite via "open-chain" transition state. | 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 |
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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 |
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Volatile ketone formation in bacteria: release of 3-oxopentanoate by soil pseudomonads during growth on heptanoate. | 2001 Apr |
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Kinetics of the lipase-catalyzed synthesis of glucose esters in acetone. | 2001 Apr 20 |
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Prandtl-number dependence of heat transport in turbulent Rayleigh-Bénard convection. | 2001 Apr 9 |
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Oxidative degradation study of nitrendipine using stability indicating, HPLC, HPTLC and spectrophotometric method. | 2001 Feb |
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Histamine H1 and H2 receptor antagonists accelerate skin barrier repair and prevent epidermal hyperplasia induced by barrier disruption in a dry environment. | 2001 Feb |
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Structure of hydroxynitrile lyase from Manihot esculenta in complex with substrates acetone and chloroacetone: implications for the mechanism of cyanogenesis. | 2001 Feb |
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The first acetimine gold(I) and gold(III) complexes and the first acetonine complexes. | 2001 Feb 2 |
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Concentrations and distribution of some polychlorinated biphenyls (PCBs) and polycyclic aromatic hydrocarbons (PAHs) in an ombrotrophic peat bog profile of Switzerland. | 2001 Feb 21 |
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Proline-catalyzed asymmetric aldol reactions between ketones and alpha-unsubstituted aldehydes. | 2001 Feb 22 |
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Synthesis of a C1-C21 subunit of the protein phosphatase inhibitor tautomycin: a formal total synthesis. | 2001 Feb 23 |
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A theoretical study of the uncatalyzed and BF3-assisted Baeyer-Villiger reactions. | 2001 Feb 23 |
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Ion-dipole S(N)2 reaction in acetone-water mixtures. Electrostatic and specific solute-solvent interactions. | 2001 Feb 23 |
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Development of a device for the delivery of agents to bone during distraction osteogenesis. | 2001 Jan |
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A technique for preserving pigmentation in some capsalid monogeneans for taxonomic purposes. | 2001 Jan |
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N(delta)-(5-hydroxy-4,6-dimethylpyrimidine-2-yl)-l-ornithine, a novel methylglyoxal-arginine modification in beer. | 2001 Jan |
|
[cyclo-CH2[Sn(CI2)CH2Si(Me2)]2O]: synthesis and complexation behaviour of a novel, cyclic, bidentate Lewis acid and its conversion into a tin-containing fluorosilane with intermolecular Si-F...Sn bridges. | 2001 Jan 19 |
|
Characterizing the performance of industrial-scale columns. | 2001 Jan 26 |
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Isolation and characterization of a new ribosome inactivating protein, momorgrosvin, from seeds of the monk's fruit Momordica grosvenorii. | 2001 Jan 5 |
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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 |
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Hemin (Fe(3+))-- and heme (Fe(2+))--smectite conjugates as a model of hemoprotein based on spectrophotometry. | 2001 Jan-Feb |
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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 |
|
Analysis of canthaxanthin and related pigments from Gordonia jacobaea mutants. | 2001 Mar |
|
Radioimmunoassay for somatostatin receptor type 2. | 2001 Mar |
|
Topical application as a method for comparing the effectiveness of insecticides against cat flea (Siphonaptera: Pulicidae). | 2001 Mar |
|
Determination of acetone in cow milk by Fourier transform infrared spectroscopy for the detection of subclinical ketosis. | 2001 Mar |
|
Does the photochemical conversion of colchicine into lumicolchicines involve triplet transients? A solvent dependence study. | 2001 Mar |
|
Sensitive indoor air monitoring of formaldehyde and other carbonyl compounds using the 2,4-dinitrophenylhydrazine method. | 2001 Mar |
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Routine formaldehyde fixation irreversibly reduces immunoreactivity of Bcl-2 in the nuclear compartment of breast cancer cells, but not in the cytoplasm. | 2001 Mar |
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Determination of carvedilol in human cardiac tissue by high-performance liquid chromatography. | 2001 Mar |
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Analytical method development for 18 pesticides in house dust and settled residues using SEC, SPE, TMS methylation, and GC-MS. | 2001 Mar |
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Approach to the synthesis of antitumor quassinoids from labdane diterpenes: an efficient synthesis of a picrasane-related intermediate. | 2001 Mar 8 |
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Determination of acetochlor in technical and formulated products by capillary gas chromatography: PVM 5:1999. | 2001 Mar-Apr |
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Involvement of lipid peroxidation in spontaneous pancreatitis in WBN/Kob rats. | 2001 May |
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Mechanistic aspects of cyanogenesis from active-site mutant Ser80Ala of hydroxynitrile lyase from Manihot esculenta in complex with acetone cyanohydrin. | 2001 May |
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Approaches to the synthesis of some tyrosine-derived marine sponge metabolites: synthesis of verongamine and purealidin N. | 2001 May 4 |
|
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
Mon Mar 31 17:46:40 GMT 2025
by
admin
on
Mon Mar 31 17:46:40 GMT 2025
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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
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CFR |
21 CFR 175.320
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admin on Mon Mar 31 17:46:40 GMT 2025 , Edited by admin on Mon Mar 31 17:46:40 GMT 2025
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JECFA EVALUATION |
ACETONE
Created by
admin on Mon Mar 31 17:46:40 GMT 2025 , Edited by admin on Mon Mar 31 17:46:40 GMT 2025
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LOINC |
30574-8
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DEA NO. |
6532
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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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100000077928
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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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PRIMARY | |||
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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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327
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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 |
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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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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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