Diacetone Alcohol

Base Information Edit

Chemical Name:Diacetone Alcohol
CAS No.:123-42-2
Molecular Formula:C6H12O2
Molecular Weight:116.16
Hs Code.:2914 40 10
European Community (EC) Number:204-626-7
ICSC Number:0647
NSC Number:9005
UN Number:1148
UNII:Q7WP157PTD
DSSTox Substance ID:DTXSID6024917
Nikkaji Number:J5.540I
Wikipedia:Diacetone_alcohol
Wikidata:Q421486
Metabolomics Workbench ID:5471
ChEMBL ID:CHEMBL3182048
Mol file:123-42-2.mol

Synonyms:4-hydroxy-4-methyl-2-pentanone;diacetone alcohol

Suppliers and Price of Diacetone Alcohol

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Diacetone Alcohol
100ml
$ 65.00

TCI Chemical
Diacetone Alcohol >98.0%(GC)
500mL
$ 24.00

Sigma-Aldrich
4-Hydroxy-4-methyl-2-pentanone for synthesis. CAS 123-42-2, chemical formula (CH ) C(OH)CH COCH ., for synthesis
8045120100
$ 33.50

Sigma-Aldrich
4-Hydroxy-4-methyl-2-pentanone for synthesis
100 mL
$ 32.10

Sigma-Aldrich
4-Hydroxy-4-methyl-2-pentanone 99%
25ml
$ 28.10

Sigma-Aldrich
4-Hydroxy-4-methyl-2-pentanone 99%
500ml
$ 44.50

Sigma-Aldrich
4-Hydroxy-4-methyl-2-pentanone for synthesis. CAS 123-42-2, chemical formula (CH ) C(OH)CH COCH ., for synthesis
8045121000
$ 42.40

Sigma-Aldrich
4-Hydroxy-4-methyl-2-pentanone for synthesis
1 L
$ 40.61

Sigma-Aldrich
4-Hydroxy-4-methyl-2-pentanone analytical standard
1ml
$ 65.20

Sigma-Aldrich
4-Hydroxy-4-methyl-2-pentanone for synthesis. CAS 123-42-2, chemical formula (CH ) C(OH)CH COCH ., for synthesis
8045122500
$ 57.10

Total 26 raw suppliers

Chemical Property of Diacetone Alcohol Edit

Chemical Property:

Appearance/Colour:Clear, colorless liquid
Vapor Pressure:<1 mm Hg ( 20 °C)
Melting Point:-42.8 °C
Refractive Index:n20/D 1.423(lit.)
Boiling Point:168.1 °C at 760 mmHg
PKA:14.57±0.29(Predicted)
Flash Point:61.7 °C
PSA：37.30000
Density:0.95 g/cm³
LogP:0.73640
Storage Temp.:Store below +30°C.
Solubility.:Soluble in alcohol, ether (Weast, 1986), and many other solvents, particular ketones such as acetone and 2-butanone.
Water Solubility.:MISCIBLE
XLogP3:-0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:116.083729621
Heavy Atom Count:8
Complexity:94.7
Transport DOT Label:Flammable Liquid

Purity/Quality:

99% min ^*data from raw suppliers

Diacetone Alcohol ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36-R36
Safety Statements: 24/25-S24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Chemical Classes:Solvents -> Other Solvents
Canonical SMILES:CC(=O)CC(C)(C)O
Inhalation Risk:A harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C.
Effects of Short Term Exposure:The substance is irritating to the eyes, skin and respiratory tract. If this liquid is swallowed, aspiration into the lungs may result in chemical pneumonitis. Exposure far above the OEL could cause lowering of consciousness.
Effects of Long Term Exposure:The substance defats the skin, which may cause dryness or cracking.
Physical properties Clear, watery, flammable liquid with a mild, pleasant, characteristic odor similar to 2-butanone or the pentanones. Experimentally determined detection and recognition odor threshold concentrations were 1.3 mg/m3 (270 ppbv) and 5.2 mg/m3 (1.1 ppmv), respectively (Hellman and Small, 1974).
Uses Solvent for cellulose acetate, nitrocellulose, celluloid, fats, oils, waxes, resins. As a preservative in pharmaceutical preparations. In some antifreeze solutions and in hydraulic fluids. Solvent for pigments, cellulose, resins, oils, fats, and hydrocarbons; hydraulic brake fluid; antifreeze 4-Hydroxy-4-methyl-2-pentanone is used asa solvent for nitrocellulose, cellulose acetate,resins, fats, oils, and waxes; and in hydraulicfluids and antifreeze solutions..

Technology Process of Diacetone Alcohol

There total 99 articles about Diacetone Alcohol 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: 11.0%