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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Envelope structure of Synechococcus sp. WH8113, a nonflagellated swimming cyanobacterium. | 2001 |
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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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Galactomannans as a sieving matrix in capillary electrophoresis. | 2001 |
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Survey of transcripts in the adult Drosophila brain. | 2001 |
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Direct and sensitized photoprocesses of bis-benzimidazole dyes and the effects of surfactants and DNA. | 2001 Apr |
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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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Oxidative stress, microsomal and peroxisomal fatty acid oxidation in the liver of rats treated with acetone. | 2001 Apr |
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Purification and N-terminal amino acid sequence of fructose-6-phosphate phosphoketolase from Bifidobacterium longum BB536. | 2001 Apr |
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Growth and development of homograft tracheal transplants in the piglet model. | 2001 Apr |
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Comparing conventional and acetone-precipitated dog allergen extract skin testing. | 2001 Apr |
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Extent of initial corneal injury as a basis for alternative eye irritation tests. | 2001 Apr |
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An investigation on the biological activity of Combretum species. | 2001 Apr |
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Time-resolved spectroscopy of sulfur- and carboxy-substituted N-alkylphthalimides. | 2001 Apr 1 |
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Parallel synthesis of novel heteroaromatic acromelic acid analogues from kainic acid. | 2001 Apr 20 |
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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 |
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Photoreaction of 2-halo-N-pyridinylbenzamide: intramolecular cyclization mechanism of phenyl radical assisted with n-complexation of chlorine radical. | 2001 Apr 6 |
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Synthesis, expression and characterisation of peptides comprised of perfect repeat motifs based on a wheat seed storage protein. | 2001 Apr 7 |
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Prandtl-number dependence of heat transport in turbulent Rayleigh-Bénard convection. | 2001 Apr 9 |
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Differential effects of IH636 grape seed proanthocyanidin extract and a DNA repair modulator 4-aminobenzamide on liver microsomal cytochrome 4502E1-dependent aniline hydroxylation. | 2001 Feb |
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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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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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[Permeabilization of yeast Trigonopsis variabilis FA10 cells for enhancing apparent activity of D-amino acid oxidase]. | 2001 Jan |
|
Development of a device for the delivery of agents to bone during distraction osteogenesis. | 2001 Jan |
|
Experimental and computational mapping of the binding surface of a crystalline protein. | 2001 Jan |
|
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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Effects of carbodiimide crosslinking conditions on the physical properties of laminated intestinal submucosa. | 2001 Jul |
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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 |
|
Antinociceptive activity of Malvastrum coromandelinum. | 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 |
|
Routine formaldehyde fixation irreversibly reduces immunoreactivity of Bcl-2 in the nuclear compartment of breast cancer cells, but not in the cytoplasm. | 2001 Mar |
|
Determination of carvedilol in human cardiac tissue by high-performance liquid chromatography. | 2001 Mar |
|
Analytical method development for 18 pesticides in house dust and settled residues using SEC, SPE, TMS methylation, and GC-MS. | 2001 Mar |
|
Headspace analysis of engine oil by gas chromatography/mass spectrometry. | 2001 Mar 15 |
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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 |
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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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A new rapid immunohistochemical staining technique using the EnVision antibody complex. | 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 |
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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 |
|
Susceptibility of glycolytic enzyme activity and motility of spermatozoa from rat, mouse, and human to inhibition by proven and putative chlorinated antifertility compounds in vitro. | 2001 May-Jun |
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:06:29 GMT 2023
by
admin
on
Fri Dec 15 15:06:29 GMT 2023
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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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JECFA EVALUATION |
ACETONE
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admin on Fri Dec 15 15:06:29 GMT 2023 , Edited by admin on Fri Dec 15 15:06:29 GMT 2023
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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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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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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 |
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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
|
||
|
PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (GC)
USP
|
||
|
PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (GC)
USP
|
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (GC)
EP
|
Related Record | Type | Details | ||
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ACTIVE MOIETY |
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