cis-Aconitic acid

Base Information Edit

Chemical Name:cis-Aconitic acid
CAS No.:585-84-2
Molecular Formula:C6H6O6
Molecular Weight:174.11
Hs Code.:2917190090
European Community (EC) Number:209-564-4,207-877-0
NSC Number:227901,7616
UNII:OF5471ZHRR
DSSTox Substance ID:DTXSID30883449
Nikkaji Number:J37.488A
Wikipedia:Aconitic_acid
Wikidata:Q27104226
Metabolomics Workbench ID:37059
ChEMBL ID:CHEMBL347285
Mol file:585-84-2.mol

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

Suppliers and Price of cis-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
cis-Aconitic acid
25g
$ 970.00

SynQuest Laboratories
(1Z)-Prop-1-ene-1,2,3-tricarboxylic acid
1 g
$ 47.00

SynQuest Laboratories
(1Z)-Prop-1-ene-1,2,3-tricarboxylic acid
5 g
$ 140.00

Sigma-Aldrich
cis-Aconitic acid ≥98%
10g
$ 450.00

Sigma-Aldrich
cis-Aconitic acid ≥98%
5g
$ 360.00

Sigma-Aldrich
cis-Aconitic acid ≥98%
1g
$ 75.80

Sigma-Aldrich
cis-Aconitic acid phyproof Reference Substance
100mg
$ 210.60

Crysdot
(Z)-Prop-1-ene-1,2,3-tricarboxylicacid 90%
5g
$ 470.00

Crysdot
(Z)-Prop-1-ene-1,2,3-tricarboxylicacid 90%
1g
$ 130.00

ChemScene
(Z)-Aconiticacid ≥98.0%
5mg
$ 50.00

Total 34 raw suppliers

Chemical Property of cis-Aconitic acid Edit

Chemical Property:

Appearance/Colour:white to almost white powder
Vapor Pressure:3.29E-13mmHg at 25°C
Melting Point:122 °C (lit.)
Refractive Index:1.57
Boiling Point:542.6 °C at 760 mmHg
PKA:1.95(at 25℃)
Flash Point:296 °C
PSA：111.90000
Density:1.66 g/cm³
LogP:-0.44330
Storage Temp.:2-8°C
Solubility.:Aqueous Base (Slightly), DMSO (Slightly), Methanol (Slightly)
Water Solubility.:Soluble in water, alcohol. 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:

98% ^*data from raw suppliers

cis-Aconitic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn, Xi
Hazard Codes:Xn,Xi
Statements: 36/38-40-36/37/38
Safety Statements: 26-36/37-36

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
Isomeric SMILES:C(/C(=C/C(=O)O)/C(=O)O)C(=O)O
Uses cis-Aconitic Acid is the cis-isomer of Aconitic Acid. The conjugate base of cis-Aconitic Acid is an intermediate in the isomerization of citrate and isocitrate in the citric acid cycle. cis-Aconitic acid is used as an intermediate in the production of substances pharmaceuticals. It is widely used in chemical research and as reagent. It acts as a cis-isomer of aconitic acid. cis-Aconitic acid can be used as a standard for the determination of organic acids in plant tissues.

Technology Process of cis-Aconitic acid

There total 10 articles about cis-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: