Acetone

US Previously Marketed

First marketed in 1921

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 Search

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

Description
Sources: http://www.inchem.org/documents/sids/sids/67641.pdf | https://www.ncbi.nlm.nih.gov/pubmed/12891674

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

C_max

Value	Dose	Co-administered	Analyte	Population
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

Value	Dose	Co-administered	Analyte	Population
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

T_1/2

Value	Dose	Co-administered	Analyte	Population
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

CYP3A4	CYP2C9	CYP2D6	hERG

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
CYP1A 70 CYP2C 20 CYP2D 3 CYP2E 4 CYP3A 227		CYP2E1 131

Drug as perpetrator

Target	Modality	Activity
CYP3A 317	inhibitor 4027 Sources: https://pubmed.ncbi.nlm.nih.gov/20729275/	weak [Inhibition 134986 uM]
CYP1A 122	inhibitor 4027 Sources: https://pubmed.ncbi.nlm.nih.gov/20729275/ Page: 2.0	yes [Inhibition 134986 uM]
CYP2C 37	inhibitor 4027 Sources: https://pubmed.ncbi.nlm.nih.gov/20729275/	yes [Inhibition 134986 uM]
CYP2D 4	inhibitor 4027 Sources: https://pubmed.ncbi.nlm.nih.gov/20729275/	yes [Inhibition 134986 uM]
CYP2E 13	inhibitor 4027 Sources: https://pubmed.ncbi.nlm.nih.gov/20729275/	yes [Inhibition 134986 uM]
CYP2E1 1146	inducer 1966 Sources: https://www.tandfonline.com/doi/abs/10.1080/009841098158340	yes

Sourcing

Vendor/Aggregator	ID	URL
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

Title	Date	PubMed
Normal embryonic stages of the longnose gar, Lepisosteus osseus.	2001	11319037
Changes in human lymphocyte subpopulations in tonsils and regional lymph nodes of human head and neck squamous carcinoma compared to control lymph nodes.	2001	11316463
Survey of transcripts in the adult Drosophila brain.	2001	11276425
Isolation and characterization of rheumatoid arthritis synovial fibroblasts from primary culture--primary culture cells markedly differ from fourth-passage cells.	2001	11178129
The mode of toxic action of the pesticide gliftor: the metabolism of 1,3-difluoroacetone to (-)-erythro-fluorocitrate.	2001	11170315
Ultrasonic effects on electroorganic processes--Part 20. Photocatalytic oxidation of aliphatic alcohols in aqueous suspension of TiO2 powder.	2001 Apr	11326612
Phenolic constituents from the core of kenaf (Hibiscus cannabinus).	2001 Apr	11314965
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	11310677
Purification, N-terminal amino acid sequence, and some properties of Cu, Zn-superoxide dismutase from Japanese flounder (Paralichthys olivaceus) hepato-pancreas.	2001 Apr	11290457
An investigation on the biological activity of Combretum species.	2001 Apr	11282442
Determination of 1-aminopropan-2-one, a dissolved sewage component, in water samples.	2001 Apr	11268833
Volatile ketone formation in bacteria: release of 3-oxopentanoate by soil pseudomonads during growth on heptanoate.	2001 Apr	11178729
Kinetics of the lipase-catalyzed synthesis of glucose esters in acetone.	2001 Apr 20	11255158
Prandtl-number dependence of heat transport in turbulent Rayleigh-Bénard convection.	2001 Apr 9	11327960
Oxidative degradation study of nitrendipine using stability indicating, HPLC, HPTLC and spectrophotometric method.	2001 Feb	11272329
Histamine H1 and H2 receptor antagonists accelerate skin barrier repair and prevent epidermal hyperplasia induced by barrier disruption in a dry environment.	2001 Feb	11180002
Structure of hydroxynitrile lyase from Manihot esculenta in complex with substrates acetone and chloroacetone: implications for the mechanism of cyanogenesis.	2001 Feb	11173464
The first acetimine gold(I) and gold(III) complexes and the first acetonine complexes.	2001 Feb 2	11261661
Concentrations and distribution of some polychlorinated biphenyls (PCBs) and polycyclic aromatic hydrocarbons (PAHs) in an ombrotrophic peat bog profile of Switzerland.	2001 Feb 21	11286217
Proline-catalyzed asymmetric aldol reactions between ketones and alpha-unsubstituted aldehydes.	2001 Feb 22	11178828
Synthesis of a C1-C21 subunit of the protein phosphatase inhibitor tautomycin: a formal total synthesis.	2001 Feb 23	11312969
A theoretical study of the uncatalyzed and BF3-assisted Baeyer-Villiger reactions.	2001 Feb 23	11312947
Ion-dipole S(N)2 reaction in acetone-water mixtures. Electrostatic and specific solute-solvent interactions.	2001 Feb 23	11312943
Development of a device for the delivery of agents to bone during distraction osteogenesis.	2001 Jan	11314182
A technique for preserving pigmentation in some capsalid monogeneans for taxonomic purposes.	2001 Jan	11213200
N(delta)-(5-hydroxy-4,6-dimethylpyrimidine-2-yl)-l-ornithine, a novel methylglyoxal-arginine modification in beer.	2001 Jan	11170600
[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	11271520
Characterizing the performance of industrial-scale columns.	2001 Jan 26	11218115
Isolation and characterization of a new ribosome inactivating protein, momorgrosvin, from seeds of the monk's fruit Momordica grosvenorii.	2001 Jan 5	11205869
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	11286129
Hemin (Fe(3+))-- and heme (Fe(2+))--smectite conjugates as a model of hemoprotein based on spectrophotometry.	2001 Jan-Feb	11170361
Effects of carbodiimide crosslinking conditions on the physical properties of laminated intestinal submucosa.	2001 Jul	11309796
Use of solvents in industries in Korea: experience in Sinpyeong-Jangrim industrial complex.	2001 Mar	11317709
Evidence for toxic effects of alkylphenols from Ginkgo biloba in the hen's egg test (HET).	2001 Mar	11315756
Analysis of canthaxanthin and related pigments from Gordonia jacobaea mutants.	2001 Mar	11312835
Radioimmunoassay for somatostatin receptor type 2.	2001 Mar	11308994
Topical application as a method for comparing the effectiveness of insecticides against cat flea (Siphonaptera: Pulicidae).	2001 Mar	11296822
Determination of acetone in cow milk by Fourier transform infrared spectroscopy for the detection of subclinical ketosis.	2001 Mar	11286409
Does the photochemical conversion of colchicine into lumicolchicines involve triplet transients? A solvent dependence study.	2001 Mar	11281015
Sensitive indoor air monitoring of formaldehyde and other carbonyl compounds using the 2,4-dinitrophenylhydrazine method.	2001 Mar	11279824
Routine formaldehyde fixation irreversibly reduces immunoreactivity of Bcl-2 in the nuclear compartment of breast cancer cells, but not in the cytoplasm.	2001 Mar	11277419
Determination of carvedilol in human cardiac tissue by high-performance liquid chromatography.	2001 Mar	11277253
Analytical method development for 18 pesticides in house dust and settled residues using SEC, SPE, TMS methylation, and GC-MS.	2001 Mar	11277251
Approach to the synthesis of antitumor quassinoids from labdane diterpenes: an efficient synthesis of a picrasane-related intermediate.	2001 Mar 8	11259027
Determination of acetochlor in technical and formulated products by capillary gas chromatography: PVM 5:1999.	2001 Mar-Apr	11324593
Involvement of lipid peroxidation in spontaneous pancreatitis in WBN/Kob rats.	2001 May	11345145
Mechanistic aspects of cyanogenesis from active-site mutant Ser80Ala of hydroxynitrile lyase from Manihot esculenta in complex with acetone cyanohydrin.	2001 May	11316882
Approaches to the synthesis of some tyrosine-derived marine sponge metabolites: synthesis of verongamine and purealidin N.	2001 May 4	11325276
New selectivity in peptide hydrolysis by metal complexes. Platinum(II) complexes promote cleavage of peptides next to the tryptophan residue.	2001 May 7	11327915
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	11327894

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

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Name

Type

Language

FEMA NO. 3326

Preferred Name

English

Acetone

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