Calcium lignosulfonate , CAS No.8061-52-7

CAS: 8061-52-7 Cat. No.: C106637 EG-Nummer: 617-125-7
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Synonyms
Lignosulfonic acid, calcium salt | UNII-33T2H9O73P | CALCIUM LIGNOSULFONATE | 6HPP8U6S23 | FT-0627854 | UNII-6HPP8U6S23 | EPA Pesticide Chemical Code 115101 | SCHEMBL1002725 | AKOS040750989 | calcium;3-(2-hydroxy-3-methoxyphenyl)-2-[2-methoxy-4-(3-sulfona
Storage
Room temperature
Shipped In
Normal
★
Size
Deutschland (EU)
USA*
Price
Qty
100g
C106637-100g
—
2 Auf Lager
18,14€
500g
C106637-500g
1 Auf Lager
—
46,77€
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 30 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyme
Lignosulfonic acid, calcium salt | UNII-33T2H9O73P | CALCIUM LIGNOSULFONATE | 6HPP8U6S23 | FT-0627854 | UNII-6HPP8U6S23 | EPA Pesticide Chemical Code 115101 | SCHEMBL1002725 | AKOS040750989 | calcium;3-(2-hydroxy-3-methoxyphenyl)-2-[2-methoxy-4-(3-sulfona
Storage
Room temperature
Verschickt in
Normal
Namen und Kennungen
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488182918
Kanonisches Lächeln
COC1=CC=CC(=C1O)CC(CS(=O)(=O)[O-])OC2=C(C=C(C=C2)CCCS(=O)(=O)[O-])OC.[Ca+2]
IUPAC Name
calcium;3-(2-hydroxy-3-methoxyphenyl)-2-[2-methoxy-4-(3-sulfonatopropyl)phenoxy]propane-1-sulfonate
InChIKey
RYAGRZNBULDMBW-UHFFFAOYSA-L
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
Isomere SMILES
COC1=CC=CC(=C1O)CC(CS(=O)(=O)[O-])OC2=C(C=C(C=C2)CCCS(=O)(=O)[O-])OC.[Ca+2]
WGK Deutschland
1
Reaxy-Rn
31147156
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31147156&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLignans, neolignans and related compounds
KlasseNot available
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentLignans, neolignans and related compounds
Alternative Parents Methoxyphenols  Phenoxy compounds  Methoxybenzenes  Anisoles  Alkyl aryl ethers  1-hydroxy-4-unsubstituted benzenoids  Sulfonyls  Organosulfonic acids  Alkanesulfonic acids  Organic calcium salts  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Neolignan skeleton - Methoxyphenol - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic calcium salt - Ether - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as lignans, neolignans and related compounds. These are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties. They can also be described as micromolecules with two phenylpropanoid units coupled together. They can be attached in various manners, like C5-C5', C8-C8'. Most known natural lignans are oxidized at C9 and C9´ and, based upon the way in which oxygen is incorporated into the skeleton and on the cyclization patterns, a wide range of lignans of very different structural types can be formed.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

16 results found

Lot NumberCertificate TypeDatumArtikel
G2220436Certificate of AnalysisMay 09, 2026 C106637
E2612205Certificate of AnalysisMar 13, 2026 C106637
E2612206Certificate of AnalysisMar 13, 2026 C106637
E2612207Certificate of AnalysisMar 13, 2026 C106637
B2624241Certificate of AnalysisMar 22, 2025 C106637
D2514358Certificate of AnalysisMar 22, 2025 C106637
D2514382Certificate of AnalysisMar 22, 2025 C106637
G2415233Certificate of AnalysisJun 19, 2024 C106637
G2415234Certificate of AnalysisJun 19, 2024 C106637
G2415235Certificate of AnalysisJun 19, 2024 C106637
B2308110Certificate of AnalysisFeb 18, 2023 C106637
E2415062Certificate of AnalysisJun 22, 2022 C106637
E2417082Certificate of AnalysisJun 22, 2022 C106637
G2220435Certificate of AnalysisJun 22, 2022 C106637
G2220437Certificate of AnalysisJun 22, 2022 C106637
I2321011Certificate of AnalysisJun 22, 2022 C106637
Chemische und physikalische Eigenschaften
Molekulargewicht528.600 g/mol
XLogP3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass528.044 Da
Monoisotopic Mass528.044 Da
Topological Polar Surface Area179.000 Ų
Heavy Atom Count33
Formal Charge0
Complexity732.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
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