Home Formula Acetone

Formula of Acetone (C3H6O)

Identification of Acetone Chemical Compound

2D chemical structure image of acetone
Chemical Formula C3H6O
Molecular Weight 58.07914 g/mol
IUPAC Name propan-2-one
SMILES String CC(C)=O
InChI InChI=1S/C3H6O/c1-3(2)4/h1-2H3
InChIKey CSCPPACGZOOCGX-UHFFFAOYSA-N

Chemical Formula Description

The acetone molecule contains a total of 10 atom(s). There are 6 Hydrogen atom(s), 3 Carbon atom(s) and 1 Oxygen atom(s). A chemical formula of acetone can therefore be written as:

C3H6O

The chemical formula of acetone shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

3D chemical structure image of acetone
Ball-and-stick model of acetone




More Properties of Acetone

For physicochemical, thermodynamic, transport, spectra, and other property data & information, the followings are available from “Mol-Instincts”, a chemical database based on quantum mechanics:







Additional Information for Identifying Acetone Molecule

  • Structure Data File (SDF/MOL File) of acetone

    The structure data file (SDF/MOL File) of acetone is available for download in the SDF page of acetone providing the information about the atoms, bonds, connectivity and coordinates of acetone, which is not completely available in the chemical formula representation. The acetone structure data file can be imported to most of the cheminformatics software for further analysis and visualization.

  • Chemical structure of acetone

    The chemical structure image of acetone is available in chemical structure page of acetone, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of acetone and the chemical bonds that hold the atoms together.

  • Molecular weight of acetone

    The molecular weight of acetone is available in molecular weight page of acetone, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of acetone.


  • InChI (IUPAC International Chemical Identifier) information of acetone

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of acetone is:

    InChI=1S/C3H6O/c1-3(2)4/h1-2H3

    It can provide a standard way to encode the molecular information of acetone to facilitate the search for the compound information in databases and on the web.

    The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of acetone is:

    InChIKey=CSCPPACGZOOCGX-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for acetone, but it needs to be linked to the full InChI to get back to the original structure of the acetone since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of acetone

    The acetone compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of acetone including the registry numbers is given below, if available:

    • BBV-72804463
    • Acetone, puriss., meets analytical specification of Ph. Eur., BP, NF, >=99% (GC)
    • Acetone, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.5% (GC)
    • Acetone solution, certified reference material, 2000 mug/mL in methanol: water (9:1)
    • Acetone, semiconductor grade VLSI PURANAL(TM) (Honeywell 17617)
    • Acetone, semiconductor grade ULSI PURANAL(TM) (Honeywell 17014)
    • Acetone, semiconductor grade MOS PURANAL(TM) (Honeywell 17921)
    • Acetone, HPLC Plus, for HPLC, GC, and residue analysis, >=99.9%
    • Acetone solution, contains 20.0 % (v/v) acetonitrile, for HPLC
    • Acetone, United States Pharmacopeia (USP) Reference Standard
    • Acetone, for UV-spectroscopy, ACS reagent, >=99.7% (GC)
    • Acetone, pharmaceutical secondary standard; traceable to USP
    • Acetone, for residue analysis, suitable for 5000 per JIS
    • I14-51516
    • Acetone, >=99%, meets FCC analytical specifications
    • 2-Propanone, >10 - 60% in a non hazardous diluent
    • Acetone, ReagentPlus(R), phenol free, >=99.5%
    • Acetone, ACS spectrophotometric grade, >=99.5%
    • D02311
    • 2-Propanone, >60% in a non hazardous diluent
    • Acetone, suitable for determination of dioxins
    • Acetone, for luminescence, >=99.5% (GC)
    • A0054
    • Acetone, for residue analysis, >=99.5%
    • Acetone, >=99.5%, for residue analysis
    • Acetone, UV HPLC spectroscopic, 99.8%
    • Acetone, for HPLC, >=99.8% (GC)
    • Acetone, Laboratory Reagent, >=99.5%
    • Acetone, JIS special grade, >=99.5%
    • Acetone, histological grade, >=99.5%
    • Acetone, for chromatography, >=99.8%
    • Acetone [UN1090] [Flammable liquid]
    • Acetone, SAJ first grade, >=99.0%
    • Acetone [UN1090] [Flammable liquid]
    • UN 1090
    • RTR-022713
    • Acetone, purum, >=99.0% (GC)
    • LMFA12000057
    • Acetone, >=99.5%, ACS reagent
    • Acetone, GC, for residue analysis
    • Citronellidene Acetone; Baccartol
    • Acetone, Spectrophotometric Grade
    • HMDB01659
    • Acetone, AR, >=99.5%
    • (CH3)2CO
    • Dimethylketone, Pyroacetic acid
    • Acetone, puriss., 99.0%
    • Aceton (GERMAN, POLISH)
    • UN 1091 (Salt/Mix)
    • Acetone, natural, >=97%
    • Acetone, LR, >=99%
    • Acetone, Semiconductor Grade
    • Acetone, Environmental Grade
    • Acetone, analytical standard
    • Pyroacetic spirit (archaic)
    • EC 200-662-2
    • Acetone Reagent Grade ACS
    • Acetone, 99% 1L
    • Acetone oil (Salt/Mix)
    • Acetone, technical grade
    • Acetone, 99.5%
    • ACETONE, ACS
    • ACETONE, HPLC
    • Acetone, HPLC Grade
    • Acetone, ACS reagent
    • Acetone, for HPLC
    • Acetone HPLC grade
    • Acetone (TN)
    • Acetone p.A.
    • Acetone, puriss.
    • Acetone HP
    • 2-propanal
    • b-Ketopropane
    • 2propanone
    • methyl-ketone
    • Azeton
    • Sasetone
    • Propanon
    • Dimethylketon
    • methylketone
    • isopropanal
    • dimethylcetone
    • CAS-67-64-1
    • Acetone, ACS reagent, >=99.5%
    • Acetone, for HPLC, >=99.9%
    • Acetone, for HPLC, >=99.8%
    • 4468-52-4
    • MFCD00008765
    • Acetone (NF)
    • 1364PS73AF
    • d-acetone
    • EPA Pesticide Chemical Code 004101
    • RCRA waste no. U002
    • FEMA No. 3326
    • Acetone [NF]
    • .beta.-Ketopropane
    • Ketone, dimethyl-
    • Aceton [German, Dutch, Polish]
    • Caswell No. 004
    • Dimethyl formaldehyde
    • RCRA waste number U002
    • Acetone (natural)
    • dimethylketone
    • Ketone, dimethyl
    • Pyroacetic acid
    • Aceton
    • Ketone propane
    • Chevron acetone
    • Dimethylketal
    • beta-Ketopropane
    • Pyroacetic ether
    • Dimethylformaldehyde
    • 67-64-1
    • Methyl ketone
    • Dimethyl ketone
    • propanone
    • 2-propanone
    • acetone

Additional Outstanding Products

Acetone Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of acetone?
C3H6O
How many atoms and what are they in the acetone structure?
10 atom(s) - 6 Hydrogen atom(s), 3 Carbon atom(s) and 1 Oxygen atom(s)
How many chemical bonds and what are they in the acetone structure?
9 bond(s) - 3 non-H bond(s), 1 multiple bond(s), 1 double bond(s) and 1 ketone(s) (aliphatic)
What’s the molecular weight of acetone?
58.07914 g/mol
What’s the SMILES string of acetone?
CC(C)=O
What’s the InChI of acetone?
InChI=1S/C3H6O/c1-3(2)4/h1-2H3
What’s the InChIKey of acetone?
CSCPPACGZOOCGX-UHFFFAOYSA-N

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
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