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Acetoacetic acid

Base Information Edit
  • Chemical Name:Acetoacetic acid
  • CAS No.:541-50-4
  • Molecular Formula:C4H6 O3
  • Molecular Weight:102.09
  • Hs Code.:2918300090
  • UNII:4ZI204Y1MC
  • DSSTox Substance ID:DTXSID00202441
  • Nikkaji Number:J4.508J
  • Wikipedia:Acetoacetic_acid
  • Wikidata:Q409692
  • Metabolomics Workbench ID:1527
  • ChEMBL ID:CHEMBL1230762
  • Mol file:541-50-4.mol
Acetoacetic acid

Synonyms:3-ketobutyrate;3-oxobutyric acid;acetoacetate;acetoacetic acid;acetoacetic acid, calcium salt;acetoacetic acid, lithium salt;acetoacetic acid, sodium salt;oxobutyrate;sodium acetoacetate

Suppliers and Price of Acetoacetic acid
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
  • American Custom Chemicals Corporation
  • 5MG
  • $ 505.59
Total 58 raw suppliers
Chemical Property of Acetoacetic acid Edit
Chemical Property:
  • Vapor Pressure:0.015mmHg at 25°C 
  • Melting Point:36-37° 
  • Refractive Index:1.4540 (estimate) 
  • Boiling Point:237.7°Cat760mmHg 
  • PKA:3.58(at 18℃) 
  • Flash Point:111.8°C 
  • PSA:54.37000 
  • Density:1.182g/cm3 
  • LogP:0.05010 
  • XLogP3:-0.4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Rotatable Bond Count:2
  • Exact Mass:102.031694049
  • Heavy Atom Count:7
  • Complexity:95.1

99% *data from raw suppliers

ACETOACETIC ACID 95.00% *data from reagent suppliers

Safty Information:
  • Pictogram(s): R36/37:Irritating to eyes and respiratory system.; 
  • Hazard Codes:R36/37:Irritating to eyes and respiratory system.; 
  • Statements: R36/37:Irritating to eyes and respiratory system.; 
  • Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36:Wear suitable prot 
MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

  • Canonical SMILES:CC(=O)CC(=O)O
Technology Process of Acetoacetic acid

There total 96 articles about Acetoacetic acid 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 water; at 90 ℃; Column which a srtongly acidic cation exchanger in the H+ form;
Guidance literature:
With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃;
Guidance literature:
With water; sodium hydroxide; at 60 ℃; for 3h;
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