trans-Aconitic acid

Base Information Edit

Chemical Name:trans-Aconitic acid
CAS No.:4023-65-8
Molecular Formula:C6H6O6
Molecular Weight:174.11
Hs Code.:2917190090
European Community (EC) Number:223-688-6,207-877-0
NSC Number:43980
UNII:7DB37960CW
DSSTox Substance ID:DTXSID1048706
Nikkaji Number:J71.033D,J79.903C
Wikipedia:Aconitic_acid
Wikidata:Q27104227
Metabolomics Workbench ID:37521
ChEMBL ID:CHEMBL153658
Mol file:4023-65-8.mol

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

Suppliers and Price of trans-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

TRC
trans-Aconitic Acid
1g
$ 105.00

TCI Chemical
trans-Aconitic Acid >98.0%(HPLC)(T)
25g
$ 53.00

TCI Chemical
trans-Aconitic Acid >98.0%(HPLC)(T)
500g
$ 492.00

SynQuest Laboratories
trans-Aconitic acid 98%
250 mg
$ 312.00

SynQuest Laboratories
trans-Aconitic acid 98%
100 mg
$ 144.00

Sigma-Aldrich
trans-Aconitic acid 98%
25g
$ 48.00

Sigma-Aldrich
trans-Aconitic acid 98%
100g
$ 141.00

Matrix Scientific
(E)-1-Propene-1,2,3-tricarboxylic acid
10g
$ 1170.00

Matrix Scientific
(E)-1-Propene-1,2,3-tricarboxylic acid
5g
$ 810.00

Matrix Scientific
(E)-1-Propene-1,2,3-tricarboxylic acid
1g
$ 316.00

Total 58 raw suppliers

Chemical Property of trans-Aconitic acid Edit

Chemical Property:

Appearance/Colour:White to off-white crystalline powder
Vapor Pressure:3.29E-13mmHg at 25°C
Melting Point:190 °C (dec.)(lit.)
Refractive Index:1.5860 (estimate)
Boiling Point:542.6 °C at 760 mmHg
PKA:2.8(at 25℃)
Flash Point:296 °C
PSA：111.90000
Density:1.66 g/cm³
LogP:-0.44330
Storage Temp.:Store below +30°C.
Solubility.:400g/l
Water Solubility.:Soluble in water at 20°C 400g/L. Slightly soluble in ether.
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:

99.9% ^*data from raw suppliers

trans-Aconitic Acid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 24/25-37/39-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Chemical Classes:Other Classes -> Organic Acids
Canonical SMILES:C(C(=CC(=O)O)C(=O)O)C(=O)O
Isomeric SMILES:C(/C(=C\C(=O)O)/C(=O)O)C(=O)O
Uses It plays an important role as an antimicrobial agent that blocks the transformation of Leishmania donovani amastigotes to prostigotes. trans-Aconitic acid is also used in synthesis of aconitate esters. It may be used for cross-linking polyvinyl alcohol film for preparing composite nanofiltration membranes.

Technology Process of trans-Aconitic acid

There total 21 articles about trans-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: 62.6%