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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
Structure of ACETONE

SMILES

CC(=O)C

InChI

InChIKey=CSCPPACGZOOCGX-UHFFFAOYSA-N
InChI=1S/C3H6O/c1-3(2)4/h1-2H3

HIDE SMILES / InChI
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

Description

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

1921
1413
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
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

AUC

ValueDoseCo-administeredAnalytePopulation
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

T1/2

ValueDoseCo-administeredAnalytePopulation
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

Overview

CYP3A4CYP2C9CYP2D6hERG

OverviewOther

Other InhibitorOther SubstrateOther Inducer
CYP1A
69

CYP2C
19

CYP2D
3

CYP2E
4

CYP3A
191
CYP2E1
117
Drug as perpetrator​

Drug as perpetrator​

TargetModalityActivityMetaboliteClinical evidence
CYP3A
271
 weak [Inhibition 134986 uM]
CYP1A
110
 yes [Inhibition 134986 uM]
CYP2C
30
 yes [Inhibition 134986 uM]
CYP2D
4
 yes [Inhibition 134986 uM]
CYP2E
10
 yes [Inhibition 134986 uM]
CYP2E1
871
 yes
Sourcing

Sourcing

Vendor/AggregatorIDURL
ChEBI
CHEBI:15347
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15347
ZINC
ZINC000000895111
http://zinc15.docking.org/substances/ZINC000000895111
eMolecules
474422
https://www.emolecules.com/cgi-bin/more?vid=474422
PubMed

PubMed

TitleDatePubMed
Changes in human lymphocyte subpopulations in tonsils and regional lymph nodes of human head and neck squamous carcinoma compared to control lymph nodes.
2001
Galactomannans as a sieving matrix in capillary electrophoresis.
2001
Inhibition of carcinogen induced c-Ha-ras and c-fos proto-oncogenes expression by dietary curcumin.
2001
Isolation and characterization of rheumatoid arthritis synovial fibroblasts from primary culture--primary culture cells markedly differ from fourth-passage cells.
2001
Direct and sensitized photoprocesses of bis-benzimidazole dyes and the effects of surfactants and DNA.
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
Growth and development of homograft tracheal transplants in the piglet model.
2001 Apr
Comparing conventional and acetone-precipitated dog allergen extract skin testing.
2001 Apr
Volatile ketone formation in bacteria: release of 3-oxopentanoate by soil pseudomonads during growth on heptanoate.
2001 Apr
Time-resolved spectroscopy of sulfur- and carboxy-substituted N-alkylphthalimides.
2001 Apr 1
Parallel synthesis of novel heteroaromatic acromelic acid analogues from kainic acid.
2001 Apr 20
Kinetics of the lipase-catalyzed synthesis of glucose esters in acetone.
2001 Apr 20
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
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
Isolation and characterization of coagulant extracted from Moringa oleifera seed by salt solution.
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
Concentrations and distribution of some polychlorinated biphenyls (PCBs) and polycyclic aromatic hydrocarbons (PAHs) in an ombrotrophic peat bog profile of Switzerland.
2001 Feb 21
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
Ion-dipole S(N)2 reaction in acetone-water mixtures. Electrostatic and specific solute-solvent interactions.
2001 Feb 23
[Permeabilization of yeast Trigonopsis variabilis FA10 cells for enhancing apparent activity of D-amino acid oxidase].
2001 Jan
The immunochemical detection of stress proteins in activated sludge exposed to toxic chemicals.
2001 Jan
[Evaluation of confocal microscopy in the analysis of the external trabecular membrane during deep nonpenetrating sclerectomy].
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 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
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
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
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
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
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
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 Fri Jun 25 21:18:14 UTC 2021
Edited
by admin
on Fri Jun 25 21:18:14 UTC 2021
Record UNII
1364PS73AF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACETONE
EP   FCC   FHFI   HSDB   II   INCI   MART.   MI   USP-RS   VANDF   WHO-DD  
INCI  
Official Name English
ACETONE [FHFI]
Common Name English
ACETONE [VANDF]
Common Name English
ACETONE [WHO-DD]
Common Name English
DIMETHYL KETONE
Systematic Name English
PROPANONE
Systematic Name English
ACETONE [INCI]
Common Name English
ACETONE [HSDB]
Common Name English
NSC-135802
Code English
PYROACETIC ETHER
Common Name English
ACETONE [MART.]
Common Name English
DIMETHYLFORMALDEHYDE
Systematic Name English
FEMA NO. 3326
Code English
CHLOROBUTANOL IMPURITY B [EP]
Common Name English
ACETONE [FCC]
Common Name English
ACETONE [MI]
Common Name English
.BETA.-KETOPROPANE
Systematic Name English
2-PROPANONE
Systematic Name English
ACETONE [USP-RS]
Common Name English
ACETONE [EP]
Common Name English
ACETONE [EP MONOGRAPH]
Common Name English
TAIMAX
Common Name English
Classification Tree Code System Code
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
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
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
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
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
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
Code System Code Type Description
RXCUI
178
Created by admin on Fri Jun 25 21:18:15 UTC 2021 , Edited by admin on Fri Jun 25 21:18:15 UTC 2021
PRIMARY RxNorm
ChEMBL
CHEMBL14253
Created by admin on Fri Jun 25 21:18:15 UTC 2021 , Edited by admin on Fri Jun 25 21:18:15 UTC 2021
PRIMARY
MERCK INDEX
M1335
Created by admin on Fri Jun 25 21:18:15 UTC 2021 , Edited by admin on Fri Jun 25 21:18:15 UTC 2021
PRIMARY Merck Index
ECHA (EC/EINECS)
200-662-2
Created by admin on Fri Jun 25 21:18:15 UTC 2021 , Edited by admin on Fri Jun 25 21:18:15 UTC 2021
PRIMARY
EVMPD
SUB12712MIG
Created by admin on Fri Jun 25 21:18:15 UTC 2021 , Edited by admin on Fri Jun 25 21:18:15 UTC 2021
PRIMARY
HSDB
40
Created by admin on Fri Jun 25 21:18:15 UTC 2021 , Edited by admin on Fri Jun 25 21:18:15 UTC 2021
PRIMARY
NCI_THESAURUS
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
CONCEPT Industrial Aid
WIKIPEDIA
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
PRIMARY
MESH
D000096
Created by admin on Fri Jun 25 21:18:15 UTC 2021 , Edited by admin on Fri Jun 25 21:18:15 UTC 2021
PRIMARY
EPA CompTox
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
PRIMARY
NCI_THESAURUS
C29807
Created by admin on Fri Jun 25 21:18:15 UTC 2021 , Edited by admin on Fri Jun 25 21:18:15 UTC 2021
PRIMARY
CAS
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
PRIMARY
FDA UNII
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
PRIMARY
PUBCHEM
180
Created by admin on Fri Jun 25 21:18:15 UTC 2021 , Edited by admin on Fri Jun 25 21:18:15 UTC 2021
PRIMARY
USP_CATALOG
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
PRIMARY USP-RS
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Related Record Type Details
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ACTIVE MOIETY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
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