Identification and Related Records
- 【Name】
- calcium lignosulfon-ate
- 【Registry number】
- 8061-52-7 (CAS DataBase Reference)
- 【Synonyms】
-
lignosulfonic acid, calcium salt
- 【Molecular Formula】
- C20H24CaO10S2 (Products with the same molecular formula)
- 【Molecular Weight】
- 528.60656
- 【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
- 【Canonical SMILES】
- COC1=CC=CC(=C1O)CC(CS(=O)(=O)[O-])OC2=C(C=C(C=C2)CCCS(=O)(=O)[O-])OC.[Ca+2]
Chemical and Physical Properties
- 【Appearance】
- yellow powder
- 【Water】
- water: soluble
- 【Solubilities】
- water: soluble
- 【Stability】
- Stable. Incompatible with strong oxidizing agents.
- 【Computed Properties】
- Molecular Weight:528.60656 [g/mol]
Molecular Formula:C20H24CaO10S2
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:179
Heavy Atom Count:33
Formal Charge:0
Complexity:732
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2
Safety and Handling
- 【Safety】
-
WGK Germany: 1
- 【Specification】
-
?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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