Compound: acetone
SMILES: O=C(C)C
InChIKey: CSCPPACGZOOCGX-UHFFFAOYSA-N
Synonyms: acetone, 2-propanone, propanone, 67-64-1, propan-2-one, Dimethyl ketone, Pyroacetic ether, Methyl ketone, Dimethylformaldehyde, beta-Ketopropane, Dimethylketal, Chevron acetone, Ketone propane, Aceton, Pyroacetic acid, Ketone, dimethyl, FEMA No. 3326, Dimethyl formaldehyde, RCRA waste number U002, Taimax, Caswell No. 004, DTXSID8021482, NSC-135802, AI3-01238, 1364PS73AF, DTXCID101482, CHEBI:15347, NSC135802, Acetone oil, RefChem:6608, CHEBI:51867, 200-662-2, dimethylketone, Aceton [German, Dutch, Polish], Ketone, dimethyl-, MFCD00008765, .beta.-Ketopropane, Acetone [NF], NSC 135802, Acetone-2-(1)(3)C, (CH3)2CO, Acetone (NF), NCGC00091179-01, Acetone (natural), Acetone, for HPLC, >=99.8%, Acetone, for HPLC, >=99.9%, Acetone, ACS reagent, >=99.5%, CAS-67-64-1, HSDB 41, CCRIS 5953, ACETONE (1,3-13C2, 99%), ACETONE (1,1,1,3,3,3-D6), EINECS 200-662-2, RCRA waste no. U002, EPA Pesticide Chemical Code 004101, dimethylcetone, isopropanal, methylketone, Dimethylketon, Propanon, Sasetone, methyl-ketone, 2propanone, b-Ketopropane, UNII-1364PS73AF, 2-propanal, Acetone ACS, Acetone HPLC grade, methyl methyl ketone, Acetone, for HPLC, Acetone, ACS reagent, Acetone, HPLC Grade, TAK - Toxic Alcohols, ACETONE [VANDF], ACETONE [FHFI], ACETONE [HSDB], Acetone ACS low benzene, ACETONE [FCC], ACETONE [MI], CH3COCH3, ACETONE [MART.], ACETONE [USP-RS], ACETONE [WHO-DD], SCHEMBL662, Acetone, histological grade, EC 200-662-2, Acetone, analytical standard, Acetone, Environmental Grade, Acetone, Semiconductor Grade, Acetone, LR, >=99%, SCHEMBL29380, Acetone, natural, >=97%, UN 1091 (Salt/Mix), Aceton (GERMAN, POLISH), ACETONE [EP IMPURITY], Acetone, puriss., 99.0%, CHEMBL14253, SCHEMBL533721, SCHEMBL712303, ACETONE [EP MONOGRAPH], SCHEMBL1031959, SCHEMBL7459124, SCHEMBL8115593, WLN: 1V1, Acetone [for Spectrophotometry], Acetone, AR, >=99.5%, SCHEMBL12115314, Acetone (water < 1000 ppm), Acetone, Spectrophotometric Grade, Acetone, >=99.5%, ACS reagent, Tox21_111096, Tox21_202480, c0556, LMFA12000057, Acetone 5000 microg/mL in Methanol, Acetone, purum, >=99.0% (GC), AKOS000120890, ACETONE (2-13C, 99%), Acetone 100 microg/mL in Acetonitrile, UN 1090, Acetone, SAJ first grade, >=99.0%, Acetone [UN1090]  [Flammable liquid], Acetone, for chromatography, >=99.8%, Acetone, histological grade, >=99.5%, Acetone, JIS special grade, >=99.5%, Acetone, Laboratory Reagent, >=99.5%, NCGC00260029-01, Acetone, for HPLC, >=99.8% (GC), Acetone, UV HPLC spectroscopic, 99.8%, DESFLURANE IMPURITY H [EP IMPURITY], ISOFLURANE IMPURITY F [EP IMPURITY], A0054, Acetone, for luminescence, >=99.5% (GC), InChI=1/C3H6O/c1-3(2)4/h1-2H, NS00003196, Acetone, suitable for determination of dioxins, CHLOROBUTANOL IMPURITY B [EP IMPURITY], Acetone, glass distilled HRGC/HPLC trace grade, C00207, D02311, Q49546, Acetone, ACS spectrophotometric grade, >=99.5%, Acetone, ReagentPlus(R), phenol free, >=99.5%, TAS - Toxic alcohols in Human serum (Quantitative), Acetone, >=99%, meets FCC analytical specifications, Acetone, ACS reagent, >=99.5%, <=2 ppm low benzene, Acetone, contains 20.0 % (v/v) acetonitrile, for HPLC, Acetone, for UV-spectroscopy, ACS reagent, >=99.7% (GC), Acetone, United States Pharmacopeia (USP) Reference Standard, Acetone, semiconductor grade MOS PURANAL(TM) (Honeywell 17921), Acetone, semiconductor grade ULSI PURANAL(TM) (Honeywell 17014), Acetone, semiconductor grade VLSI PURANAL(TM) (Honeywell 17617), Acetone, Pharmaceutical Secondary Standard; Certified Reference Material, Acetylene intermix (1 per cent) in nitrogen Impurity A [EP Impurity], Acetone, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.5% (GC), Acetone, puriss., meets analytical specification of Ph. Eur., BP, NF, >=99% (GC)
Theoretical properties:
molecular_formula: C3H6O
molecular_weight: 58.08 g/mol
exact_mass: 58.041864811 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 4
topological_polar_surface_area: 17.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless volatile liquid
color: Colorless volatile liquid
odor: Fruity odor
boiling_point: 133 °F at 760 mmHg (NTP, 1992)
melting_point: -137 °F (NTP, 1992)
density: 0.791 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: greater than or equal to 100 mg/mL at 72 °F (NTP, 1992)
flash_point: 0 °F (NTP, 1992)
vapor_pressure: 180 mmHg at 68 °F ; 270 mmHg at 86 °F (NTP, 1992)
Descriptions:
pubchem: Acetone is a methyl ketone that consists of propane bearing an oxo group at C2. It has a role as a polar aprotic solvent, a human metabolite and an EC 3.5.1.4 (amidase) inhibitor. It is a volatile organic compound, a member of propanones, a methyl ketone and a ketone body.
chebi: A methyl ketone that consists of propane bearing an oxo group at C2.
chembl: ACETONE is a small molecule listed in the ChEMBL database and has reached clinical trial phase -1.0.
wikipedia: Acetone (2-propanone or dimethyl ketone) is an organic compound with the formula (CH3)2CO. It is the simplest and smallest ketone (R−C(=O)−R').  It is a colorless, highly volatile, and flammable liquid with a characteristic pungent odor.
Acetone is miscible with water and serves as an important organic solvent in industry, home, and laboratory. About 6.7 million tonnes were produced worldwide in 2010, mainly for use as a solvent and for production of methyl methacrylate and bisphenol A, which are precursors to widely used plastics. It is a common building block in organic chemistry. It serves as a solvent in household products such as nail polish remover and paint thinner. It has volatile organic compound (VOC)-exempt status in the United States.
Acetone is produced and disposed of in the human body through normal metabolic processes. Small quantities of it are present naturally in blood and urine. People with diabetic ketoacidosis produce it in larger amounts. Medical ketogenic diets that increase ketone bodies (acetone, β-hydroxybutyric acid and acetoacetic acid) in the blood are used to suppress epileptic attacks in children with treatment-resistant epilepsy.