Molecule structure of Calcium lignosulfonate (CAS NO.8061-52-7):
IUPAC Name: Calcium 3-(2-hydroxy-3-methoxyphenyl)-2-[2-methoxy-4-(3-sulfonatopropyl)phenoxy]propane-1-sulfonate
Molecular Weight: 528.60656 g/mol
Molecular Formula: C20H24CaO10S2
Solubility H2O: soluble
H-Bond Donor: 1
H-Bond Acceptor: 10
Rotatable Bond Count: 10
Tautomer Count: 3
Exact Mass: 528.04368
MonoIsotopic Mass: 528.04368
Topological Polar Surface Area: 162
Heavy Atom Count: 33
Complexity: 732
Canonical SMILES: COC1=CC=CC(=C1O)CC(CS(=O)(=O)[O-])OC2=C(C=C(C=C2)CCCS(=O)(=O)[O-])OC.[Ca+2]
InChI: InChI=1S/C20H26O10S2.Ca/c1-28-18-7-3-6-15(20(18)21)12-16(13-32(25,26)27)30-17-9-8-14(11-19(17)29-2)5-4-10-31(22,23)24;/h3,6-9,11,16,21H,4-5,10,12-13H2,1-2H3,(H,22,23,24)(H,25,26,27);/q;+2/p-2
InChIKey: RYAGRZNBULDMBW-UHFFFAOYSA-L
Product Categories: Lignins; Natural Polymers; Polymer Science
Calcium lignosulfonate (CAS NO.8061-52-7) is used as concrete water reducer.
WGK Germany: 1
Calcium lignosulfonate (CAS NO.8061-52-7) is also named as Caswell No. 146 ; EPA Pesticide Chemical Code 115101 ; Lignin calcium sulfonate ; Lignosulfonic acid, calcium salt ; Lime fractionated, spent pulping liquor, precipitate ; UNII-33T2H9O73P . Calcium lignosulfonate (CAS NO.8061-52-7) is yellow powder. It is stable and incompatible with strong oxidizing agents. It has slightly acidic.
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