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Octyl acetoacetate

Base Information Edit
  • Chemical Name:Octyl acetoacetate
  • CAS No.:16436-00-3
  • Molecular Formula:C12H22 O3
  • Molecular Weight:214.305
  • Hs Code.:2918300090
  • European Community (EC) Number:240-491-0
  • UNII:PL4K8GV3K4
  • DSSTox Substance ID:DTXSID10167754
  • Nikkaji Number:J207.937B
  • Wikidata:Q83037203
  • Mol file:16436-00-3.mol
Octyl acetoacetate

Synonyms:octyl 3-oxobutanoate;16436-00-3;Octyl acetoacetate;Acetoacetic Acid n-Octyl Ester;n-Octyl Acetoacetate;PL4K8GV3K4;ACETOACETICACIDN-OCTYLESTER;EINECS 240-491-0;Butanoic acid, 3-oxo-, octyl ester;Acetessigsaureoctylester;UNII-PL4K8GV3K4;Acetoacetic acid octyl ester;N-OCTYL ACETYLACETATE;SCHEMBL1682642;1-OCTYL 3-OXOBUTANOATE;DTXSID10167754;Octyl 3-oxobutanoate, AldrichCPR;MFCD00059448;AKOS005267097;A0915;CS-0333926;FT-0682692;D88350

Suppliers and Price of Octyl acetoacetate
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
  • Octyl3-Oxobutanoate
  • 250mg
  • $ 45.00
  • TCI Chemical
  • n-Octyl Acetoacetate >95.0%(GC)
  • 25mL
  • $ 142.00
  • Matrix Scientific
  • Octyl 3-oxobutanoate
  • 500mg
  • $ 199.00
  • American Custom Chemicals Corporation
  • ACETOACETIC ACID-N-OCTYL ESTER 95.00%
  • 500MG
  • $ 795.80
  • AK Scientific
  • Octyl3-oxobutanoate
  • 25ml
  • $ 241.00
Total 13 raw suppliers
Chemical Property of Octyl acetoacetate Edit
Chemical Property:
  • Refractive Index:1.4380-1.4420 
  • Boiling Point:258.8°Cat760mmHg 
  • PKA:10.68±0.46(Predicted) 
  • Flash Point:104.6°C 
  • PSA:43.37000 
  • Density:0.943g/cm3 
  • LogP:2.86920 
  • XLogP3:3.3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Rotatable Bond Count:10
  • Exact Mass:214.15689456
  • Heavy Atom Count:15
  • Complexity:187
Purity/Quality:

98%,99%, *data from raw suppliers

Octyl3-Oxobutanoate *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:
Useful:
  • Canonical SMILES:CCCCCCCCOC(=O)CC(=O)C
Technology Process of Octyl acetoacetate

There total 6 articles about Octyl acetoacetate 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:
Guidance literature:
With cesium fluoride; In toluene; for 18h; Heating;
DOI:10.1055/s-2008-1032071
Guidance literature:
With butyltrimethylammonium bis(trifluoromethylsulfonyl)azanide; at 80 ℃; for 2h; Ionic liquid;
DOI:10.1016/j.catcom.2009.11.015
Guidance literature:
With sodium acetate; In acetonitrile; for 1.5h; Heating;
DOI:10.1021/ja00056a021
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