Aconitic acid

Base Information Edit

Chemical Name:Aconitic acid
CAS No.:499-12-7
Molecular Formula:C6H6O6
Molecular Weight:174.11
Hs Code.:
European Community (EC) Number:207-877-0
DSSTox Substance ID:DTXSID9060102
Wikipedia:Aconitic_acid
Wikidata:Q288782
Mol file:499-12-7.mol

Synonyms:Achilleic Acid;Aconitate;Aconitic Acid;Carboxyglutaconic Acid;Citridic Acid;Citridinic Acid;Equisetic Acid;Pyrocitric Acid

Suppliers and Price of Aconitic 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
ACONITIC ACID 95.00%
5MG
$ 500.63

Total 18 raw suppliers

Chemical Property of Aconitic acid Edit

Chemical Property:

Vapor Pressure:3.29E-13mmHg at 25°C
Melting Point:192°C (rough estimate)
Refractive Index:1.57
Boiling Point:542.6°C at 760 mmHg
PKA:2.39±0.36(Predicted)
Flash Point:296°C
PSA：111.90000
Density:1.66g/cm³
LogP:-0.44330
XLogP3:-1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:174.01643791
Heavy Atom Count:12
Complexity:251

Purity/Quality:

99%, ^*data from raw suppliers

ACONITIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Other Classes -> Organic Acids
Canonical SMILES:C(C(=CC(=O)O)C(=O)O)C(=O)O
Description Aconitic acid has pleasant, winey, acid taste; almost odorless. Aconitic acid of the trans-configuration can be isolated during the processing of sugarcane by precipitating it as the calcium salt from cane syrup or molasses. The concentration in molasses ranges from 1.8 to 2.5%. Aconitic acid may be synthesized from citric acid by dehydration with sulfuric acid or by catalytic dehydration. The cis-configuration is somewhat unstable and is readily rearranged to the trans form by heating. Trans-aconitic acid is decarboxylated to itaconic acid by heating to 180°F. The cis form occurs in plant and animal tissues as a metabolic intermediate in the Krebs cycle during the isomerization of citric acid to isocitric acid by the action of enzyme aconitase.
Uses Aconitic Acid is a flavoring substance which occurs in the leaves and tubers of aconitum napellus l. And other ranunculaceae. Transaconitic acid can be isolated during sugar cane processing, by precipitation as the calcium salt from cane sugar or molasses. It may be synthesized by sulfuric acid dehydration of citric acid but not by the methanesulfonic acid method. It is used in a maximum level, as served, of 0.003% for baked goods, 0.002% for alcoholic beverages, 0.0015% for frozen dairy products, 0.0035% for soft candy, and 0.0005% or less for all other food categories.

Technology Process of Aconitic acid

There total 38 articles about Aconitic 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: 81.0%