U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

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

Cmax

ValueDoseCo-administeredAnalytePopulation
1.01 mM
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
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
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






Drug as perpetrator​

Drug as perpetrator​

TargetModalityActivityMetaboliteClinical evidence
weak [Inhibition 134986 uM]
yes [Inhibition 134986 uM]
yes [Inhibition 134986 uM]
yes [Inhibition 134986 uM]
yes [Inhibition 134986 uM]
yes
PubMed

PubMed

TitleDatePubMed
Stimulation of tolbutamide hydroxylation by acetone and acetonitrile in human liver microsomes and in a cytochrome P-450 2C9-reconstituted system.
2000 Jan
Envelope structure of Synechococcus sp. WH8113, a nonflagellated swimming cyanobacterium.
2001
The mode of toxic action of the pesticide gliftor: the metabolism of 1,3-difluoroacetone to (-)-erythro-fluorocitrate.
2001
Direct and sensitized photoprocesses of bis-benzimidazole dyes and the effects of surfactants and DNA.
2001 Apr
An investigation on the biological activity of Combretum species.
2001 Apr
Determination of 1-aminopropan-2-one, a dissolved sewage component, in water samples.
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
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
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
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
Synthesis of a C1-C21 subunit of the protein phosphatase inhibitor tautomycin: a formal total synthesis.
2001 Feb 23
A theoretical study of the uncatalyzed and BF3-assisted Baeyer-Villiger reactions.
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
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
The immunochemical detection of stress proteins in activated sludge exposed to toxic chemicals.
2001 Jan
A technique for preserving pigmentation in some capsalid monogeneans for taxonomic purposes.
2001 Jan
Isolation and characterization of a new ribosome inactivating protein, momorgrosvin, from seeds of the monk's fruit Momordica grosvenorii.
2001 Jan 5
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
Use of solvents in industries in Korea: experience in Sinpyeong-Jangrim industrial complex.
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
Routine formaldehyde fixation irreversibly reduces immunoreactivity of Bcl-2 in the nuclear compartment of breast cancer cells, but not in the cytoplasm.
2001 Mar
Induction of the respiratory burst in turtle peritoneal macrophages by Salmonella muenchen.
2001 Mar
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
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
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
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 Dec 15 15:06:29 UTC 2023
Edited
by admin
on Fri Dec 15 15:06:29 UTC 2023
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
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 UTC 2023 , Edited by admin on Fri Dec 15 15:06:29 UTC 2023
CFR 21 CFR 175.320
Created by admin on Fri Dec 15 15:06:29 UTC 2023 , Edited by admin on Fri Dec 15 15:06:29 UTC 2023
JECFA EVALUATION ACETONE
Created by admin on Fri Dec 15 15:06:29 UTC 2023 , Edited by admin on Fri Dec 15 15:06:29 UTC 2023
LOINC 30574-8
Created by admin on Fri Dec 15 15:06:29 UTC 2023 , Edited by admin on Fri Dec 15 15:06:29 UTC 2023
DEA NO. 6532
Created by admin on Fri Dec 15 15:06:29 UTC 2023 , Edited by admin on Fri Dec 15 15:06:29 UTC 2023
EPA PESTICIDE CODE 44101
Created by admin on Fri Dec 15 15:06:29 UTC 2023 , Edited by admin on Fri Dec 15 15:06:29 UTC 2023
LOINC 76524-8
Created by admin on Fri Dec 15 15:06:29 UTC 2023 , Edited by admin on Fri Dec 15 15:06:29 UTC 2023
Code System Code Type Description
RXCUI
178
Created by admin on Fri Dec 15 15:06:29 UTC 2023 , Edited by admin on Fri Dec 15 15:06:29 UTC 2023
PRIMARY RxNorm
ChEMBL
CHEMBL14253
Created by admin on Fri Dec 15 15:06:29 UTC 2023 , Edited by admin on Fri Dec 15 15:06:29 UTC 2023
PRIMARY
NSC
135802
Created by admin on Fri Dec 15 15:06:29 UTC 2023 , Edited by admin on Fri Dec 15 15:06:29 UTC 2023
PRIMARY
MERCK INDEX
m1335
Created by admin on Fri Dec 15 15:06:29 UTC 2023 , Edited by admin on Fri Dec 15 15:06:29 UTC 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
200-662-2
Created by admin on Fri Dec 15 15:06:29 UTC 2023 , Edited by admin on Fri Dec 15 15:06:29 UTC 2023
PRIMARY
EVMPD
SUB12712MIG
Created by admin on Fri Dec 15 15:06:29 UTC 2023 , Edited by admin on Fri Dec 15 15:06:29 UTC 2023
PRIMARY
SMS_ID
100000077928
Created by admin on Fri Dec 15 15:06:29 UTC 2023 , Edited by admin on Fri Dec 15 15:06:29 UTC 2023
PRIMARY
HSDB
40
Created by admin on Fri Dec 15 15:06:29 UTC 2023 , Edited by admin on Fri Dec 15 15:06:29 UTC 2023
PRIMARY
CHEBI
15347
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PRIMARY
NCI_THESAURUS
C45678
Created by admin on Fri Dec 15 15:06:29 UTC 2023 , Edited by admin on Fri Dec 15 15:06:29 UTC 2023
CONCEPT Industrial Aid
DAILYMED
1364PS73AF
Created by admin on Fri Dec 15 15:06:29 UTC 2023 , Edited by admin on Fri Dec 15 15:06:29 UTC 2023
PRIMARY
WIKIPEDIA
ACETONE
Created by admin on Fri Dec 15 15:06:29 UTC 2023 , Edited by admin on Fri Dec 15 15:06:29 UTC 2023
PRIMARY
MESH
D000096
Created by admin on Fri Dec 15 15:06:29 UTC 2023 , Edited by admin on Fri Dec 15 15:06:29 UTC 2023
PRIMARY
EPA CompTox
DTXSID8021482
Created by admin on Fri Dec 15 15:06:29 UTC 2023 , Edited by admin on Fri Dec 15 15:06:29 UTC 2023
PRIMARY
NCI_THESAURUS
C29807
Created by admin on Fri Dec 15 15:06:29 UTC 2023 , Edited by admin on Fri Dec 15 15:06:29 UTC 2023
PRIMARY
RS_ITEM_NUM
1006801
Created by admin on Fri Dec 15 15:06:29 UTC 2023 , Edited by admin on Fri Dec 15 15:06:29 UTC 2023
PRIMARY
CAS
67-64-1
Created by admin on Fri Dec 15 15:06:29 UTC 2023 , Edited by admin on Fri Dec 15 15:06:29 UTC 2023
PRIMARY
JECFA MONOGRAPH
327
Created by admin on Fri Dec 15 15:06:29 UTC 2023 , Edited by admin on Fri Dec 15 15:06:29 UTC 2023
PRIMARY
FDA UNII
1364PS73AF
Created by admin on Fri Dec 15 15:06:29 UTC 2023 , Edited by admin on Fri Dec 15 15:06:29 UTC 2023
PRIMARY
PUBCHEM
180
Created by admin on Fri Dec 15 15:06:29 UTC 2023 , Edited by admin on Fri Dec 15 15:06:29 UTC 2023
PRIMARY
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METABOLIC ENZYME -> INDUCER
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PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
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IMPURITY -> PARENT
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Related Record Type Details
ACTIVE MOIETY