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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
1468
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
70

CYP2C
20

CYP2D
3

CYP2E
4

CYP3A
227
CYP2E1
131
Drug as perpetrator​

Drug as perpetrator​

TargetModalityActivityMetaboliteClinical evidence
CYP3A
317
 weak [Inhibition 134986 uM]
CYP1A
122
 yes [Inhibition 134986 uM]
CYP2C
37
 yes [Inhibition 134986 uM]
CYP2D
4
 yes [Inhibition 134986 uM]
CYP2E
13
 yes [Inhibition 134986 uM]
CYP2E1
1146
 yes
Sourcing

Sourcing

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

PubMed

TitleDatePubMed
Effects of carbodiimide crosslinking conditions on the physical properties of laminated intestinal submucosa.
2001-07
Enhanced resolution of membranes in cultured cells by cryoimmobilization and freeze-substitution.
2001-05-15
Recent chemical exposures and blood volatile organic compound levels in a large population-based sample.
2001-05-08
New selectivity in peptide hydrolysis by metal complexes. Platinum(II) complexes promote cleavage of peptides next to the tryptophan residue.
2001-05-07
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.
2001-05-07
Approaches to the synthesis of some tyrosine-derived marine sponge metabolites: synthesis of verongamine and purealidin N.
2001-05-04
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.
2001-05-02
Involvement of lipid peroxidation in spontaneous pancreatitis in WBN/Kob rats.
2001-05
Mechanistic aspects of cyanogenesis from active-site mutant Ser80Ala of hydroxynitrile lyase from Manihot esculenta in complex with acetone cyanohydrin.
2001-05
A new rapid immunohistochemical staining technique using the EnVision antibody complex.
2001-05
Determination of acetochlor in technical and formulated products by capillary gas chromatography: PVM 5:1999.
2001-04-28
Validated gas chromatographic-mass spectrometric assay for determination of the antifreezes ethylene glycol and diethylene glycol in human plasma after microwave-assisted pivalylation.
2001-04-25
Parallel synthesis of novel heteroaromatic acromelic acid analogues from kainic acid.
2001-04-20
Prandtl-number dependence of heat transport in turbulent Rayleigh-Bénard convection.
2001-04-09
Activation of enzymes for nonaqueous biocatalysis by denaturing concentrations of urea.
2001-04-07
Synthesis, expression and characterisation of peptides comprised of perfect repeat motifs based on a wheat seed storage protein.
2001-04-07
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.
2001-04-05
Time-resolved spectroscopy of sulfur- and carboxy-substituted N-alkylphthalimides.
2001-04-01
Direct and sensitized photoprocesses of bis-benzimidazole dyes and the effects of surfactants and DNA.
2001-04
Ultrasonic effects on electroorganic processes--Part 20. Photocatalytic oxidation of aliphatic alcohols in aqueous suspension of TiO2 powder.
2001-04
Phenolic constituents from the core of kenaf (Hibiscus cannabinus).
2001-04
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.
2001-04
Oxidative stress, microsomal and peroxisomal fatty acid oxidation in the liver of rats treated with acetone.
2001-04
Purification and N-terminal amino acid sequence of fructose-6-phosphate phosphoketolase from Bifidobacterium longum BB536.
2001-04
Growth and development of homograft tracheal transplants in the piglet model.
2001-04
Comparing conventional and acetone-precipitated dog allergen extract skin testing.
2001-04
Purification, N-terminal amino acid sequence, and some properties of Cu, Zn-superoxide dismutase from Japanese flounder (Paralichthys olivaceus) hepato-pancreas.
2001-04
Extent of initial corneal injury as a basis for alternative eye irritation tests.
2001-04
Influence of alkyl substitution on the gas-phase stability of 1-adamantyl cation and on the solvent effects in the solvolysis of 1-bromoadamantane.
2001-03-23
Headspace analysis of engine oil by gas chromatography/mass spectrometry.
2001-03-15
Use of solvents in industries in Korea: experience in Sinpyeong-Jangrim industrial complex.
2001-03
Evidence for toxic effects of alkylphenols from Ginkgo biloba in the hen's egg test (HET).
2001-03
Analysis of canthaxanthin and related pigments from Gordonia jacobaea mutants.
2001-03
Radioimmunoassay for somatostatin receptor type 2.
2001-03
Topical application as a method for comparing the effectiveness of insecticides against cat flea (Siphonaptera: Pulicidae).
2001-03
Antinociceptive activity of Malvastrum coromandelinum.
2001-03
Ketone bodies in milk and blood of dairy cows: relationship between concentrations and utilization for detection of subclinical ketosis.
2001-03
Determination of acetone in cow milk by Fourier transform infrared spectroscopy for the detection of subclinical ketosis.
2001-03
Synthesis of a C1-C21 subunit of the protein phosphatase inhibitor tautomycin: a formal total synthesis.
2001-02-23
A theoretical study of the uncatalyzed and BF3-assisted Baeyer-Villiger reactions.
2001-02-23
Ion-dipole S(N)2 reaction in acetone-water mixtures. Electrostatic and specific solute-solvent interactions.
2001-02-23
Concentrations and distribution of some polychlorinated biphenyls (PCBs) and polycyclic aromatic hydrocarbons (PAHs) in an ombrotrophic peat bog profile of Switzerland.
2001-02-21
Differential effects of IH636 grape seed proanthocyanidin extract and a DNA repair modulator 4-aminobenzamide on liver microsomal cytochrome 4502E1-dependent aniline hydroxylation.
2001-02
[Permeabilization of yeast Trigonopsis variabilis FA10 cells for enhancing apparent activity of D-amino acid oxidase].
2001-01
Development of a device for the delivery of agents to bone during distraction osteogenesis.
2001-01
Experimental and computational mapping of the binding surface of a crystalline protein.
2001-01
Envelope structure of Synechococcus sp. WH8113, a nonflagellated swimming cyanobacterium.
2001
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
Galactomannans as a sieving matrix in capillary electrophoresis.
2001
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
ACTIVE MOIETY
Structure of Acetone
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
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