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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

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
Normal embryonic stages of the longnose gar, Lepisosteus osseus.
2001
Changes in human lymphocyte subpopulations in tonsils and regional lymph nodes of human head and neck squamous carcinoma compared to control lymph nodes.
2001
Survey of transcripts in the adult Drosophila brain.
2001
Isolation and characterization of rheumatoid arthritis synovial fibroblasts from primary culture--primary culture cells markedly differ from fourth-passage cells.
2001
The mode of toxic action of the pesticide gliftor: the metabolism of 1,3-difluoroacetone to (-)-erythro-fluorocitrate.
2001
Ultrasonic effects on electroorganic processes--Part 20. Photocatalytic oxidation of aliphatic alcohols in aqueous suspension of TiO2 powder.
2001 Apr
Phenolic constituents from the core of kenaf (Hibiscus cannabinus).
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
Purification, N-terminal amino acid sequence, and some properties of Cu, Zn-superoxide dismutase from Japanese flounder (Paralichthys olivaceus) hepato-pancreas.
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
Volatile ketone formation in bacteria: release of 3-oxopentanoate by soil pseudomonads during growth on heptanoate.
2001 Apr
Kinetics of the lipase-catalyzed synthesis of glucose esters in acetone.
2001 Apr 20
Prandtl-number dependence of heat transport in turbulent Rayleigh-Bénard convection.
2001 Apr 9
Oxidative degradation study of nitrendipine using stability indicating, HPLC, HPTLC and spectrophotometric method.
2001 Feb
Histamine H1 and H2 receptor antagonists accelerate skin barrier repair and prevent epidermal hyperplasia induced by barrier disruption in a dry environment.
2001 Feb
Structure of hydroxynitrile lyase from Manihot esculenta in complex with substrates acetone and chloroacetone: implications for the mechanism of cyanogenesis.
2001 Feb
The first acetimine gold(I) and gold(III) complexes and the first acetonine complexes.
2001 Feb 2
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
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
Development of a device for the delivery of agents to bone during distraction osteogenesis.
2001 Jan
A technique for preserving pigmentation in some capsalid monogeneans for taxonomic purposes.
2001 Jan
N(delta)-(5-hydroxy-4,6-dimethylpyrimidine-2-yl)-l-ornithine, a novel methylglyoxal-arginine modification in beer.
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
Characterizing the performance of industrial-scale columns.
2001 Jan 26
Isolation and characterization of a new ribosome inactivating protein, momorgrosvin, from seeds of the monk's fruit Momordica grosvenorii.
2001 Jan 5
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
Hemin (Fe(3+))-- and heme (Fe(2+))--smectite conjugates as a model of hemoprotein based on spectrophotometry.
2001 Jan-Feb
Effects of carbodiimide crosslinking conditions on the physical properties of laminated intestinal submucosa.
2001 Jul
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
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
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
Approach to the synthesis of antitumor quassinoids from labdane diterpenes: an efficient synthesis of a picrasane-related intermediate.
2001 Mar 8
Determination of acetochlor in technical and formulated products by capillary gas chromatography: PVM 5:1999.
2001 Mar-Apr
Involvement of lipid peroxidation in spontaneous pancreatitis in WBN/Kob rats.
2001 May
Mechanistic aspects of cyanogenesis from active-site mutant Ser80Ala of hydroxynitrile lyase from Manihot esculenta in complex with acetone cyanohydrin.
2001 May
Approaches to the synthesis of some tyrosine-derived marine sponge metabolites: synthesis of verongamine and purealidin N.
2001 May 4
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
Substance Class Chemical
Created
by admin
on Mon Mar 31 17:46:40 GMT 2025
Edited
by admin
on Mon Mar 31 17:46:40 GMT 2025
Record UNII
1364PS73AF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FEMA NO. 3326
Preferred Name English
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 [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
Acetone [FCC]
Common Name English
Acetone [MI]
Common Name English
?-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 Mon Mar 31 17:46:40 GMT 2025 , Edited by admin on Mon Mar 31 17:46:40 GMT 2025
CFR 21 CFR 175.320
Created by admin on Mon Mar 31 17:46:40 GMT 2025 , Edited by admin on Mon Mar 31 17:46:40 GMT 2025
JECFA EVALUATION ACETONE
Created by admin on Mon Mar 31 17:46:40 GMT 2025 , Edited by admin on Mon Mar 31 17:46:40 GMT 2025
LOINC 30574-8
Created by admin on Mon Mar 31 17:46:40 GMT 2025 , Edited by admin on Mon Mar 31 17:46:40 GMT 2025
DEA NO. 6532
Created by admin on Mon Mar 31 17:46:40 GMT 2025 , Edited by admin on Mon Mar 31 17:46:40 GMT 2025
EPA PESTICIDE CODE 44101
Created by admin on Mon Mar 31 17:46:40 GMT 2025 , Edited by admin on Mon Mar 31 17:46:40 GMT 2025
LOINC 76524-8
Created by admin on Mon Mar 31 17:46:40 GMT 2025 , Edited by admin on Mon Mar 31 17:46:40 GMT 2025
Code System Code Type Description
RXCUI
178
Created by admin on Mon Mar 31 17:46:40 GMT 2025 , Edited by admin on Mon Mar 31 17:46:40 GMT 2025
PRIMARY RxNorm
ChEMBL
CHEMBL14253
Created by admin on Mon Mar 31 17:46:40 GMT 2025 , Edited by admin on Mon Mar 31 17:46:40 GMT 2025
PRIMARY
NSC
135802
Created by admin on Mon Mar 31 17:46:40 GMT 2025 , Edited by admin on Mon Mar 31 17:46:40 GMT 2025
PRIMARY
MERCK INDEX
m1335
Created by admin on Mon Mar 31 17:46:40 GMT 2025 , Edited by admin on Mon Mar 31 17:46:40 GMT 2025
PRIMARY Merck Index
ECHA (EC/EINECS)
200-662-2
Created by admin on Mon Mar 31 17:46:40 GMT 2025 , Edited by admin on Mon Mar 31 17:46:40 GMT 2025
PRIMARY
EVMPD
SUB12712MIG
Created by admin on Mon Mar 31 17:46:40 GMT 2025 , Edited by admin on Mon Mar 31 17:46:40 GMT 2025
PRIMARY
SMS_ID
100000077928
Created by admin on Mon Mar 31 17:46:40 GMT 2025 , Edited by admin on Mon Mar 31 17:46:40 GMT 2025
PRIMARY
HSDB
40
Created by admin on Mon Mar 31 17:46:40 GMT 2025 , Edited by admin on Mon Mar 31 17:46:40 GMT 2025
PRIMARY
CHEBI
15347
Created by admin on Mon Mar 31 17:46:40 GMT 2025 , Edited by admin on Mon Mar 31 17:46:40 GMT 2025
PRIMARY
NCI_THESAURUS
C45678
Created by admin on Mon Mar 31 17:46:40 GMT 2025 , Edited by admin on Mon Mar 31 17:46:40 GMT 2025
CONCEPT Industrial Aid
DAILYMED
1364PS73AF
Created by admin on Mon Mar 31 17:46:40 GMT 2025 , Edited by admin on Mon Mar 31 17:46:40 GMT 2025
PRIMARY
WIKIPEDIA
ACETONE
Created by admin on Mon Mar 31 17:46:40 GMT 2025 , Edited by admin on Mon Mar 31 17:46:40 GMT 2025
PRIMARY
MESH
D000096
Created by admin on Mon Mar 31 17:46:40 GMT 2025 , Edited by admin on Mon Mar 31 17:46:40 GMT 2025
PRIMARY
EPA CompTox
DTXSID8021482
Created by admin on Mon Mar 31 17:46:40 GMT 2025 , Edited by admin on Mon Mar 31 17:46:40 GMT 2025
PRIMARY
NCI_THESAURUS
C29807
Created by admin on Mon Mar 31 17:46:40 GMT 2025 , Edited by admin on Mon Mar 31 17:46:40 GMT 2025
PRIMARY
RS_ITEM_NUM
1006801
Created by admin on Mon Mar 31 17:46:40 GMT 2025 , Edited by admin on Mon Mar 31 17:46:40 GMT 2025
PRIMARY
CAS
67-64-1
Created by admin on Mon Mar 31 17:46:40 GMT 2025 , Edited by admin on Mon Mar 31 17:46:40 GMT 2025
PRIMARY
JECFA MONOGRAPH
327
Created by admin on Mon Mar 31 17:46:40 GMT 2025 , Edited by admin on Mon Mar 31 17:46:40 GMT 2025
PRIMARY
FDA UNII
1364PS73AF
Created by admin on Mon Mar 31 17:46:40 GMT 2025 , Edited by admin on Mon Mar 31 17:46:40 GMT 2025
PRIMARY
PUBCHEM
180
Created by admin on Mon Mar 31 17:46:40 GMT 2025 , Edited by admin on Mon Mar 31 17:46:40 GMT 2025
PRIMARY
Related Record Type Details
METABOLIC ENZYME -> INDUCER
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
USP
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (GC)
EP
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (GC)
EP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
USP
PARENT -> IMPURITY
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
USP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
EP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
USP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
USP
Related Record Type Details
ACTIVE MOIETY