Acetone

Base Information

• Chemical Name: Acetone
• CAS No.: 67-64-1
• Molecular Formula: C3H6O
• Molecular Weight: 58.08
• Hs Code.: 2914.11 Oral rat LD50: 5800 mg/kg
• European Community (EC) Number: 200-662-2,942-619-7
• ICSC Number: 0087
• NSC Number: 135802
• UN Number: 1090
• UNII: 1364PS73AF
• DSSTox Substance ID: DTXSID8021482
• Nikkaji Number: J2.365E
• Wikipedia: Acetone
• Wikidata: Q49546
• NCI Thesaurus Code: C29807
• RXCUI: 178
• Metabolomics Workbench ID: 5463
• ChEMBL ID: CHEMBL14253
• Mol file: 67-64-1.mol

Synonyms:Dimethyl ketone;Dimethylformaldehyde;NSC 135802;Propanone;Pyroacetic ether;beta-Ketopropane;Acetone(8CI);Methyl ketone (6CI);2-Propanone;

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of Acetone

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Melting Point: -95--93 °C, 178-180 K, -139--136 °F
• Refractive Index: 1.3590
• Boiling Point: 56-57 °C, 329-330 K, 133-134 °F
• Flash Point: -17 °C
• PSA: 17.07000
• Density: 0.773 g/cm³
• LogP: 0.59530
• Water Solubility.: soluble
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 58.041864811
• Heavy Atom Count: 4
• Complexity: 26.3
• Transport DOT Label: Flammable Liquid

Purity/Quality:

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F:Flammable;;
• Statements: R11:; R36:; R66:; R67:
• Safety Statements: S16:; S26:; S9:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Ketones (
• Canonical SMILES: CC(=O)C
• Inhalation Risk: A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C , on spraying or dispersing much faster.
• Effects of Short Term Exposure: The substance is irritating to the eyes and respiratory tract. Exposure at high levels could cause lowering of consciousness.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking. Repeated or prolonged contact with skin may cause dryness and cracking.

Technology Process of Acetone

There total 3534 articles about Acetone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 84.0%

<β-(tert-butyldioxy)phenethyl>chloromercury (28531-39-7) → 1-Phenylethanol (98-85-1,13323-81-4) + (2-oxo-2-phenylethyl)mercury chloride (28531-58-0) + 1,1'-(1,2-ethanediyl)bisbenzene (103-29-7) + acetophenone (98-86-2) + acetone (67-64-1) + tert-butyl alcohol (75-65-0)

Guidance literature:

In toluene; at 90 - 140 ℃; Kinetics; Rate constant; nonane as solvent was used as well. Influence of azobisisobutyronitrile and ionol was tested;

Reference yield: 83.0%

C4H7ClHgO (71893-15-7) + N-methylaniline (100-61-8) → 4,4'-methylenebis(N-methylaniline) (1807-55-2) + acetone (67-64-1)

Guidance literature:

at 20 ℃; for 0.5h;

Reference yield: 78.8%

1,1-dimethylethyl-1-phenylethyl peroxide (28047-94-1) → 1-Phenylethanol (98-85-1,13323-81-4) + benzaldehyde (100-52-7) + acetophenone (98-86-2) + acetone (67-64-1) + tert-butyl alcohol (75-65-0)

Guidance literature:

In chlorobenzene; at 129.2 ℃; Product distribution; Rate constant; also with styrene, dimethylaniline, and 2,6-di-tert-butyl-p-cresol (radical traps);

DOI:10.1021/jo00144a022

upstream raw materials:

oxirane

n-hexan-2-one

ethyleneimine

di-tert-butyl peroxide

Downstream raw materials:

1,4-Diiodobutane

1,2-Diiodoethane

1-(2-methoxyphenyl)-2-nitropropene

2,4,5-trimethoxy-β-methyl-β-nitrostyrene

Refernces

• 1、 Ashby, E. C.,Goel, Anil B.,Argyropoulos, John N.. "EVIDENCE SUPPORTING A SINGLE ELECTRON TRANSFER PATHWAY IN THE REDUCTION OF AROMATIC KETONES BY METAL ALKOXIDES. LITHIUM ISOPROPOXIDE, AN EXCELLENT REDUCING AGENT FOR AROMATIC KETONES.". . p. 2273 - 2276. Retrieved 1982.
• 2、 Yamakawa, Tetsu,Miyake, Hiroto,Moriyama, Hiroshi,Shinoda, Sumio,Saito, Yasukazu. "Energy-storing Photocatalysis of Transition Metal Complexes with High Quantum Efficiency". . p. 326 - 327. Retrieved 1986.
• 3、 Gimenez,Romero,Bustillo,Jorge,Gomez Vara,Castro. "Catalytic effect of cuprous ions on the thermal decomposition of 3,3,6,6-tetramethyl-1,2,4,5-tetraoxane in methanol solution". . p. 1273 - 1276. Retrieved 2008.
• 4、 Liu, Cuiping,Yua, Tao,Tan, Xin,Huang, Xiang. "Comparison N-CU–codoped nanotitania and n-doped nanotitania in photocatalytic reduction of CO2under UV light". . p. 9 - 14. Retrieved 2017.
• 5、 Griffiths, John F.,Hasko, Stephen M.,Shaw, Nigel K.,Torrez-Mujica, Tomas. "A Thermokinetic Foundation for Oscillatory Phenomena in Gaseous Organic Oxidations under Well Stirred Flowing Conditions". . p. 343 - 354. Retrieved 1985.
• 6、 Heyward, Malcolm P.,Wells, Cecil F.. "Kinetics of the Oxidation of 2-Hydroxy-2-methylpropanoic Acid by Silver(II) Ions Complexed with 2,2'-Bipyridine in Aqueous Nitrate Media". . p. 1057 - 1070. Retrieved 1985.
• 7、 Ito, Eri,Yamashita, Masaru,Hagiwara, Shigeji,Saito, Yasukazu. "A Composite Ru-Pt Catalyst for 2-Propanol Dehydrogenation Adoptable to the Chemical Heat Pump System". . p. 351 - 354. Retrieved 1991.
• 8、 Benedict, Bryan L.,Ellis, Arthur B.. "ZEOLITE-SUPPORTED TETRAMETHYL-1,2-DIOXETANE: NEW PATHWAYS TO CHEMILUMINESCENCE". . p. 1625 - 1634. Retrieved 1987.
• 9、 Mahiou, Belaid,Gleicher, Gerald Jay. "Reaction of Arylmethanes and Heteroarylmethanes with the tert-Butoxy Radical". . p. 1555 - 1559. Retrieved 1987.
• 10、 Kazakov,Khusnullina,Kabal'nova,Khursan,Shereshovets. "Kinetics of the reaction between dimethyldioxirane and 2-methylbutane". . p. 1690 - 1693. Retrieved 1997.