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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
Structure of Acetone

SMILES

CC(C)=O

InChI

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

HIDE SMILES / InChI

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
1467
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
72

CYP2C
19

CYP2D
3

CYP2E
4

CYP3A
214
CYP2E1
128
Drug as perpetrator​

Drug as perpetrator​

TargetModalityActivityMetaboliteClinical evidence
CYP3A
298
 weak [Inhibition 134986 uM]
CYP1A
121
 yes [Inhibition 134986 uM]
CYP2C
34
 yes [Inhibition 134986 uM]
CYP2D
4
 yes [Inhibition 134986 uM]
CYP2E
13
 yes [Inhibition 134986 uM]
CYP2E1
970
 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
Inhibition of carcinogen induced c-Ha-ras and c-fos proto-oncogenes expression by dietary curcumin.
2001
Direct and sensitized photoprocesses of bis-benzimidazole dyes and the effects of surfactants and DNA.
2001 Apr
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
Solvent use and time to pregnancy among female personnel in biomedical laboratories in Sweden.
2001 Apr
Time-resolved spectroscopy of sulfur- and carboxy-substituted N-alkylphthalimides.
2001 Apr 1
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
Photoreaction of 2-halo-N-pyridinylbenzamide: intramolecular cyclization mechanism of phenyl radical assisted with n-complexation of chlorine radical.
2001 Apr 6
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
Tephrosia purpurea alleviates phorbol ester-induced tumor promotion response in murine skin.
2001 Feb
Isolation and characterization of coagulant extracted from Moringa oleifera seed by salt solution.
2001 Feb
Determination of peptides and proteins in fats and oils.
2001 Feb 1
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
Experimental and computational mapping of the binding surface of a crystalline protein.
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
A technique for preserving pigmentation in some capsalid monogeneans for taxonomic purposes.
2001 Jan
Lactic acid-stabilised albumin for microsphere formulation and biomedical coatings.
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
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
Comparative hemolytic activity of undiluted organic water-miscible solvents for intravenous and intra-arterial injection.
2001 Jan-Feb
Disappearance of desmosomal components in rat corneal epithelium during wound healing.
2001 Jan-Feb
Effects of carbodiimide crosslinking conditions on the physical properties of laminated intestinal submucosa.
2001 Jul
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
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
Analytical method development for 18 pesticides in house dust and settled residues using SEC, SPE, TMS methylation, and GC-MS.
2001 Mar
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
Determination of acetochlor in technical and formulated products by capillary gas chromatography: PVM 5:1999.
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
Enhanced resolution of membranes in cultured cells by cryoimmobilization and freeze-substitution.
2001 May 15
Approaches to the synthesis of some tyrosine-derived marine sponge metabolites: synthesis of verongamine and purealidin N.
2001 May 4
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
DIMETHYL KETONE
Systematic Name English
PROPANONE
Systematic Name English
ACETONE [INCI]
Common Name English
ACETONE [HSDB]
Common Name English
NSC-135802
Code English
ISOFLURANE IMPURITY F [EP IMPURITY]
Common Name English
Acetone [WHO-DD]
Common Name English
PYROACETIC ETHER
Common Name English
DESFLURANE IMPURITY H [EP IMPURITY]
Common Name English
ACETONE [MART.]
Common Name English
DIMETHYLFORMALDEHYDE
Systematic Name English
FEMA NO. 3326
Code 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
CHLOROBUTANOL IMPURITY B [EP IMPURITY]
Common Name English
ACETONE [EP IMPURITY]
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 Dec 15 15:06:29 GMT 2023 , Edited by admin on Fri Dec 15 15:06:29 GMT 2023
CFR 21 CFR 175.320
Created by admin on Fri Dec 15 15:06:29 GMT 2023 , Edited by admin on Fri Dec 15 15:06:29 GMT 2023
JECFA EVALUATION ACETONE
Created by admin on Fri Dec 15 15:06:29 GMT 2023 , Edited by admin on Fri Dec 15 15:06:29 GMT 2023
LOINC 30574-8
Created by admin on Fri Dec 15 15:06:29 GMT 2023 , Edited by admin on Fri Dec 15 15:06:29 GMT 2023
DEA NO. 6532
Created by admin on Fri Dec 15 15:06:29 GMT 2023 , Edited by admin on Fri Dec 15 15:06:29 GMT 2023
EPA PESTICIDE CODE 44101
Created by admin on Fri Dec 15 15:06:29 GMT 2023 , Edited by admin on Fri Dec 15 15:06:29 GMT 2023
LOINC 76524-8
Created by admin on Fri Dec 15 15:06:29 GMT 2023 , Edited by admin on Fri Dec 15 15:06:29 GMT 2023
Code System Code Type Description
RXCUI
178
Created by admin on Fri Dec 15 15:06:29 GMT 2023 , Edited by admin on Fri Dec 15 15:06:29 GMT 2023
PRIMARY RxNorm
ChEMBL
CHEMBL14253
Created by admin on Fri Dec 15 15:06:29 GMT 2023 , Edited by admin on Fri Dec 15 15:06:29 GMT 2023
PRIMARY
NSC
135802
Created by admin on Fri Dec 15 15:06:29 GMT 2023 , Edited by admin on Fri Dec 15 15:06:29 GMT 2023
PRIMARY
MERCK INDEX
m1335
Created by admin on Fri Dec 15 15:06:29 GMT 2023 , Edited by admin on Fri Dec 15 15:06:29 GMT 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
200-662-2
Created by admin on Fri Dec 15 15:06:29 GMT 2023 , Edited by admin on Fri Dec 15 15:06:29 GMT 2023
PRIMARY
EVMPD
SUB12712MIG
Created by admin on Fri Dec 15 15:06:29 GMT 2023 , Edited by admin on Fri Dec 15 15:06:29 GMT 2023
PRIMARY
SMS_ID
100000077928
Created by admin on Fri Dec 15 15:06:29 GMT 2023 , Edited by admin on Fri Dec 15 15:06:29 GMT 2023
PRIMARY
HSDB
40
Created by admin on Fri Dec 15 15:06:29 GMT 2023 , Edited by admin on Fri Dec 15 15:06:29 GMT 2023
PRIMARY
CHEBI
15347
Created by admin on Fri Dec 15 15:06:29 GMT 2023 , Edited by admin on Fri Dec 15 15:06:29 GMT 2023
PRIMARY
NCI_THESAURUS
C45678
Created by admin on Fri Dec 15 15:06:29 GMT 2023 , Edited by admin on Fri Dec 15 15:06:29 GMT 2023
CONCEPT Industrial Aid
DAILYMED
1364PS73AF
Created by admin on Fri Dec 15 15:06:29 GMT 2023 , Edited by admin on Fri Dec 15 15:06:29 GMT 2023
PRIMARY
WIKIPEDIA
ACETONE
Created by admin on Fri Dec 15 15:06:29 GMT 2023 , Edited by admin on Fri Dec 15 15:06:29 GMT 2023
PRIMARY
MESH
D000096
Created by admin on Fri Dec 15 15:06:29 GMT 2023 , Edited by admin on Fri Dec 15 15:06:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID8021482
Created by admin on Fri Dec 15 15:06:29 GMT 2023 , Edited by admin on Fri Dec 15 15:06:29 GMT 2023
PRIMARY
NCI_THESAURUS
C29807
Created by admin on Fri Dec 15 15:06:29 GMT 2023 , Edited by admin on Fri Dec 15 15:06:29 GMT 2023
PRIMARY
RS_ITEM_NUM
1006801
Created by admin on Fri Dec 15 15:06:29 GMT 2023 , Edited by admin on Fri Dec 15 15:06:29 GMT 2023
PRIMARY
CAS
67-64-1
Created by admin on Fri Dec 15 15:06:29 GMT 2023 , Edited by admin on Fri Dec 15 15:06:29 GMT 2023
PRIMARY
JECFA MONOGRAPH
327
Created by admin on Fri Dec 15 15:06:29 GMT 2023 , Edited by admin on Fri Dec 15 15:06:29 GMT 2023
PRIMARY
FDA UNII
1364PS73AF
Created by admin on Fri Dec 15 15:06:29 GMT 2023 , Edited by admin on Fri Dec 15 15:06:29 GMT 2023
PRIMARY
PUBCHEM
180
Created by admin on Fri Dec 15 15:06:29 GMT 2023 , Edited by admin on Fri Dec 15 15:06:29 GMT 2023
PRIMARY
ACTIVE MOIETY
Structure of Acetone
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
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