Details
Stereochemistry | ACHIRAL |
Molecular Formula | C3H6O |
Molecular Weight | 58.0793 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(=O)C
InChI
InChIKey=CSCPPACGZOOCGX-UHFFFAOYSA-N
InChI=1S/C3H6O/c1-3(2)4/h1-2H3
Molecular Formula | C3H6O |
Molecular Weight | 58.0793 |
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 |
---|---|---|
Galactomannans as a sieving matrix in capillary electrophoresis. | 2001 |
|
Survey of transcripts in the adult Drosophila brain. | 2001 |
|
The mode of toxic action of the pesticide gliftor: the metabolism of 1,3-difluoroacetone to (-)-erythro-fluorocitrate. | 2001 |
|
Multi-residue determination of 41 insecticides in garlic by gas chromatography and ion trap mass spectrometry using the selective ion storage technique. | 2001 |
|
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 |
|
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 |
|
Extent of initial corneal injury as a basis for alternative eye irritation tests. | 2001 Apr |
|
Determination of 1-aminopropan-2-one, a dissolved sewage component, in water samples. | 2001 Apr |
|
Solvent use and time to pregnancy among female personnel in biomedical laboratories in Sweden. | 2001 Apr |
|
Parallel synthesis of novel heteroaromatic acromelic acid analogues from kainic acid. | 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 |
|
Kinetics and mechanism of gas-phase thermolysis using headspace-gas chromatographic analysis. | 2001 Feb |
|
Tephrosia purpurea alleviates phorbol ester-induced tumor promotion response in murine skin. | 2001 Feb |
|
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 |
|
Determination of peptides and proteins in fats and oils. | 2001 Feb 1 |
|
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 |
|
Synthesis of a C1-C21 subunit of the protein phosphatase inhibitor tautomycin: a formal total synthesis. | 2001 Feb 23 |
|
Dansylation of hydroxyl and carboxylic acid functional groups. | 2001 Feb 26 |
|
[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 |
|
Immunobiology of the reproductive tract in a female baboon. | 2001 Jan |
|
N(delta)-(5-hydroxy-4,6-dimethylpyrimidine-2-yl)-l-ornithine, a novel methylglyoxal-arginine modification in beer. | 2001 Jan |
|
Characterizing the performance of industrial-scale columns. | 2001 Jan 26 |
|
Comparative hemolytic activity of undiluted organic water-miscible solvents for intravenous and intra-arterial injection. | 2001 Jan-Feb |
|
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 |
|
Sealing and dentin bond strength of adhesive systems in selected areas of perfused teeth. | 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 |
|
Approach to the synthesis of antitumor quassinoids from labdane diterpenes: an efficient synthesis of a picrasane-related intermediate. | 2001 Mar 8 |
|
Recent chemical exposures and blood volatile organic compound levels in a large population-based sample. | 2001 Mar-Apr |
|
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 |
|
Approaches to the synthesis of some tyrosine-derived marine sponge metabolites: synthesis of verongamine and purealidin N. | 2001 May 4 |
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Jun 25 21:18:14 UTC 2021
by
admin
on
Fri Jun 25 21:18:14 UTC 2021
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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 Jun 25 21:18:15 UTC 2021 , Edited by admin on Fri Jun 25 21:18:15 UTC 2021
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CFR |
21 CFR 175.320
Created by
admin on Fri Jun 25 21:18:15 UTC 2021 , Edited by admin on Fri Jun 25 21:18:15 UTC 2021
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JECFA EVALUATION |
ACETONE
Created by
admin on Fri Jun 25 21:18:15 UTC 2021 , Edited by admin on Fri Jun 25 21:18:15 UTC 2021
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LOINC |
30574-8
Created by
admin on Fri Jun 25 21:18:15 UTC 2021 , Edited by admin on Fri Jun 25 21:18:15 UTC 2021
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EPA PESTICIDE CODE |
44101
Created by
admin on Fri Jun 25 21:18:15 UTC 2021 , Edited by admin on Fri Jun 25 21:18:15 UTC 2021
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LOINC |
76524-8
Created by
admin on Fri Jun 25 21:18:15 UTC 2021 , Edited by admin on Fri Jun 25 21:18:15 UTC 2021
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Code System | Code | Type | Description | ||
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178
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PRIMARY | RxNorm | ||
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CHEMBL14253
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PRIMARY | |||
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M1335
Created by
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PRIMARY | Merck Index | ||
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200-662-2
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PRIMARY | |||
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SUB12712MIG
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admin on Fri Jun 25 21:18:15 UTC 2021 , Edited by admin on Fri Jun 25 21:18:15 UTC 2021
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40
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admin on Fri Jun 25 21:18:15 UTC 2021 , Edited by admin on Fri Jun 25 21:18:15 UTC 2021
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PRIMARY | |||
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C45678
Created by
admin on Fri Jun 25 21:18:15 UTC 2021 , Edited by admin on Fri Jun 25 21:18:15 UTC 2021
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CONCEPT | Industrial Aid | ||
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ACETONE
Created by
admin on Fri Jun 25 21:18:15 UTC 2021 , Edited by admin on Fri Jun 25 21:18:15 UTC 2021
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PRIMARY | |||
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D000096
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67-64-1
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PRIMARY | |||
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C29807
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admin on Fri Jun 25 21:18:15 UTC 2021 , Edited by admin on Fri Jun 25 21:18:15 UTC 2021
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PRIMARY | |||
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67-64-1
Created by
admin on Fri Jun 25 21:18:15 UTC 2021 , Edited by admin on Fri Jun 25 21:18:15 UTC 2021
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1364PS73AF
Created by
admin on Fri Jun 25 21:18:15 UTC 2021 , Edited by admin on Fri Jun 25 21:18:15 UTC 2021
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180
Created by
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1006801
Created by
admin on Fri Jun 25 21:18:15 UTC 2021 , Edited by admin on Fri Jun 25 21:18:15 UTC 2021
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PRIMARY | USP-RS |
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)
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 |