Acetoacetic acid

Base Information

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

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:

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
ACETOACETIC ACID 95.00%
5MG
$ 505.59

Total 60 raw suppliers

Chemical Property of Acetoacetic acid

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

Purity/Quality:

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

Useful:

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:

Reference yield: 99.6%