trans-Aconitic acid - CAS 4023-65-8

Catalog: BB024385
Product Name: trans-Aconitic acid
CAS: 4023-65-8
Synonyms: (E)-prop-1-ene-1,2,3-tricarboxylic acid
Application: Naturally present in the leaves and tubers of beet root, sugar cane, and other plants; Used as a plasticizer for buna rubber and plastics and to make itaconic acid;; Used as a flavor, antioxidant, and in the preparation of plasticizers and wetting agents.
trans-Aconitic acid
IUPAC Name:(E)-prop-1-ene-1,2,3-tricarboxylic acid
Description:trans-Aconitic acid (CAS# 4023-65-8) is an intermediate in the isomerization of citrate and isocitrate in the citric acid cycle.
Molecular Weight:174.11
Molecular Formula:C6H6O6
Canonical SMILES:C(C(=CC(=O)O)C(=O)O)C(=O)O
InChI:InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+
InChI Key:GTZCVFVGUGFEME-HNQUOIGGSA-N
Boiling Point:542.6 ℃ at 760 mmHg
Melting Point:190 ℃
Purity:95 %
Density:1.66 g/cm3
Solubility:1 g dissolves in 5.5 ml water at 13 °c, 2 ml at 25 °c; sol in 2 parts 88% alcohol at 12 °c; slightly sol in ether
Appearance:White to off-white crystalline powder
Storage:Store below +30 ℃.
Decomposition:When heated to decomp ... Emits acrid smoke
MDL:MFCD00063184
LogP:-0.44330
Refractive Index:1.5860 (estimate)

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