for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 29 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488182918 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488182918 |
| Canonical Smiles | 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 |
| Isomeric SMILES | COC1=CC=CC(=C1O)CC(CS(=O)(=O)[O-])OC2=C(C=C(C=C2)CCCS(=O)(=O)[O-])OC.[Ca+2] |
| WGK Germany | 1 |
| Reaxy-Rn | 31147156 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31147156&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lignans, neolignans and related compounds |
| Class | Not available |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Lignans, 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 Framework | Aromatic 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 |
| Description | This 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2220436 | Certificate of Analysis | May 09, 2026 | C106637 |
| E2612205 | Certificate of Analysis | Mar 13, 2026 | C106637 |
| E2612206 | Certificate of Analysis | Mar 13, 2026 | C106637 |
| E2612207 | Certificate of Analysis | Mar 13, 2026 | C106637 |
| B2624241 | Certificate of Analysis | Mar 22, 2025 | C106637 |
| D2514358 | Certificate of Analysis | Mar 22, 2025 | C106637 |
| D2514382 | Certificate of Analysis | Mar 22, 2025 | C106637 |
| G2415233 | Certificate of Analysis | Jun 19, 2024 | C106637 |
| G2415234 | Certificate of Analysis | Jun 19, 2024 | C106637 |
| G2415235 | Certificate of Analysis | Jun 19, 2024 | C106637 |
| B2308110 | Certificate of Analysis | Feb 18, 2023 | C106637 |
| E2415062 | Certificate of Analysis | Jun 22, 2022 | C106637 |
| E2417082 | Certificate of Analysis | Jun 22, 2022 | C106637 |
| G2220435 | Certificate of Analysis | Jun 22, 2022 | C106637 |
| G2220437 | Certificate of Analysis | Jun 22, 2022 | C106637 |
| I2321011 | Certificate of Analysis | Jun 22, 2022 | C106637 |
| Molecular Weight | 528.600 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 10 |
| Exact Mass | 528.044 Da |
| Monoisotopic Mass | 528.044 Da |
| Topological Polar Surface Area | 179.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 732.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
| 1. Jialing Li, Qianlan Huang, Zhiyuan Peng. (2023) Adsorption of methylene blue by an antibacterial bio-sorbents from ligninsulfonate and tannin. Journal of Environmental Chemical Engineering, [PMID:] [10.1016/j.jece.2023.111807] |
| 2. Shu He, Zeng Liu, Xing Wu, Jia Liu, Hongli Fang, Wei Shao. (2023) Novel flexible hydrogels based on carboxymethyl guar gum and polyacrylic acid for ultra-highly sensitive and reliable strain and pressure sensors. CARBOHYDRATE POLYMERS, [PMID:37985099] [10.1016/j.carbpol.2023.121515] |
| 3. Wenhao Yuan, Jie Zhou, Mingyue Jiang, Qingfeng Sun, Gaoyuan Ye, Xiaochun Zhang, Hongjie Bi. (2023) Latent fingerprints identification and ink-free printing of fluorescent lignin-derived CDs/PVA nanocomposite with multi-stimuli responsive shape memory behavior. INDUSTRIAL CROPS AND PRODUCTS, [PMID:] [10.1016/j.indcrop.2023.117563] |
| 4. Tao Feng, Yufan Mo, Shuo Lv, Gang Liu. (2023) Heterolayered 2D Nanohybrids of Graphene-WS2 Nanosheets: Enabling Enhanced Supercapacitive Performance of Polyaniline. ENERGY & FUELS, [PMID:] [10.1021/acs.energyfuels.3c00492] |
| 5. Yuanlong Guo, Yang You, Gu Guo, Zixiang Chen, Wei Peng, Lijie Hu, Songmiao Liang, Haibo Xie. (2023) Facile preparation of cellulose/lignosulfonate derivatives composite films with high UV-shielding and gas barrier properties. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, [PMID:36990419] [10.1016/j.ijbiomac.2023.124218] |
| 6. Lei Jiang, Zeng Liu, Jia Liu, Shu He, Xing Wu, Wei Shao. (2022) Supramolecular lignin-containing hydrogel for flexible strain sensor via host-guest interaction and dynamic redox system. INDUSTRIAL CROPS AND PRODUCTS, [PMID:] [10.1016/j.indcrop.2022.116083] |
| 7. Lei Jiang, Shu He, An Liu, Jie Zhang, Jia Liu, Sirui He, Wei Shao. (2022) Preparation and characterization of self-healable and wearable hydrogels with ultrasensitive sensing performances. COMPOSITES PART B-ENGINEERING, [PMID:] [10.1016/j.compositesb.2022.109982] |
| 8. Shunrui Wang, Tao Feng, Yongan Chen, Gang Liu. (2022) Lignosulfonate functionalized nanomaterials for enhancement of the electrochemical performance of polyaniline. APPLIED SURFACE SCIENCE, [PMID:] [10.1016/j.apsusc.2022.153457] |
| 9. Kejing Wu, Yi Liu, Chunyan Yang, Siyang Tang, Changjun Liu, Yingying Liu, Houfang Lu, Bin Liang. (2022) Tuning the mesopore size of lignin-based porous carbon via salt templating for kraft lignin decomposition. INDUSTRIAL CROPS AND PRODUCTS, [PMID:] [10.1016/j.indcrop.2022.114865] |
| 10. Lei Jiang, Jia Liu, Shu He, An Liu, Jie Zhang, Haijun Xu, Wei Shao. (2021) Flexible wearable sensors based on lignin doped organohydrogels with multi-functionalities. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2021.132653] |
| 11. Shuang Feng Li, Huai Wang, Jia Li Chen, Hui Xia Zhu, Ri-Sheng Yao, Huan Wu. (2020) Degradation and Transformation of Lignin by a Fungus Aspergillus Flavus Strain F-1. Iranian Journal of Biotechnology, [PMID:33850944] [10.30498/IJB.2020.155690.2461] |
| 12. Kejing Wu, Chunyan Yang, Yingming Zhu, Junbo Wang, Xueting Wang, Changjun Liu, Yingying Liu, Houfang Lu, Bin Liang, Yongdan Li. (2019) Synthesis-Controlled α- and β-Molybdenum Carbide for Base-Promoted Transfer Hydrogenation of Lignin to Aromatic Monomers in Ethanol. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, [PMID:] [10.1021/acs.iecr.9b04910] |
| 13. Mo Wenxuan, Li Bo, Li Yaping, Li Yue, Wu Shubin. (2019) Overcoming the drying-induced pore closure of APMP poplar fibers in old newsprint by surfactant treatment to promote enzymatic hydrolysis of the cellulose. CELLULOSE, 26 (9): (5529-5541). [PMID:] [10.1007/s10570-019-02471-4] |
| 14. Hao Xu, Wenhui Yi, Dongfan Li, Ping Zhang, Sweejiang Yoo, Lei Bai, Jin Hou, Xun Hou. (2019) Obtaining high mechanical performance silk fibers by feeding purified carbon nanotube/lignosulfonate composite to silkworms. RSC Advances, 9 (7): (3558-3569). [PMID:35518113] [10.1039/C8RA09934K] |
| 15. Dapeng Liu, Qin Ouyang, Xuefeng Jiang, Hongbo Ma, Yousi Chen, Liu He. (2018) Thermal properties and thermal stabilization of lignosulfonate-acrylonitrile-itaconic acid terpolymer for preparation of carbon fiber. POLYMER DEGRADATION AND STABILITY, [PMID:] [10.1016/j.polymdegradstab.2018.02.013] |
| 16. Bo Feng, Wei Guo, Jinxiu Peng, Wenpu Zhang. (2018) Separation of scheelite and calcite using calcium lignosulphonate as depressant. SEPARATION AND PURIFICATION TECHNOLOGY, [PMID:] [10.1016/j.seppur.2018.02.009] |
| 17. Ouyang Qin, Xia Keqiang, Liu Dapeng, Jiang Xuefeng, Ma Hongbo, Chen Yousi. (2017) Fabrication of partially biobased carbon fibers from novel lignosulfonate–acrylonitrile copolymers. JOURNAL OF MATERIALS SCIENCE, 52 (12): (7439-7451). [PMID:] [10.1007/s10853-017-0977-x] |
| 18. Keqiang Xia, Qin Ouyang, Yousi Chen, Xuefei Wang, Xin Qian, Li Wang. (2015) Preparation and Characterization of Lignosulfonate–Acrylonitrile Copolymer as a Novel Carbon Fiber Precursor. ACS Sustainable Chemistry & Engineering, [PMID:] [10.1021/acssuschemeng.5b01442] |
| 19. Shanshan Li, Ning Li, Guangyi Li, Lin Li, Aiqin Wang, Yu Cong, Xiaodong Wang, Tao Zhang. (2015) Lignosulfonate-based acidic resin for the synthesis of renewable diesel and jet fuel range alkanes with 2-methylfuran and furfural. GREEN CHEMISTRY, 17 (6): (3644-3652). [PMID:] [10.1039/C5GC00372E] |
| 20. Ying Li, Xiaodong Cao, Xiaolin Qian, Yu Chen, Songqin Liu. (2012) Immobilization of laccase in N-doped carbon hollow spheres/chitosan composite film for electrochemical detection of kraft lignin. JOURNAL OF ELECTROANALYTICAL CHEMISTRY, [PMID:] [10.1016/j.jelechem.2012.09.013] |
| 21. Yang Yonghao, Luo Zhihao, Wei Zuoan, Zhao Junkang, Lu Ting, Fu Tianbao, Tang Shuang. (2024) Combined use of chemical dust suppressant and herbaceous plants for tailings dust control. ENVIRONMENTAL GEOCHEMISTRY AND HEALTH, 46 (9): (1-20). [PMID:39012551] [10.1007/s10653-024-02119-8] |
| 22. Yun Ma, Hui Liu, Liuli Zhu, Yi Xie, Chuanqi Ren, Xiaorong Mo, Xiaoying Liu, Chen Liang, Gang Deng, Shuangquan Yao, Chengrong Qin. (2024) Insight into the Thermal Washing Mechanism of Sodium Lignosulfonate Alkyl/Sodium Persulfate Compound on Oily Sludge. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 25 (23): (12542). [PMID:39684255] [10.3390/ijms252312542] |
| 23. Feng Long, Yulian Cao, Bo Zhang, Yuwei Chen, Yanjun Chen, Xiaolei Zhang, Hanjie Ying, Chenjie Zhu. (2025) Subnanometric Ni-anchored on boron, nitrogen co-doped carbon with vertically aligned MoS2 boosting catalytic activity in fatty acid hydrogenation. APPLIED CATALYSIS B-ENVIRONMENTAL, [PMID:] [10.1016/j.apcatb.2025.125243] |
| 24. Song Zhang, Zhang Chen, Yanfeng Gao. (2025) Polyethylene/Hydrophobic Calcium Lignosulfonate Composite Film for Anti-Photooxidation of Fuji Apples. JOURNAL OF APPLIED POLYMER SCIENCE, [PMID:] [10.1002/app.56999] |
| 25. Hongli Fang, Tailong Dong, ZiHuan Yuan, Xinmeng Zhang, Wei Shao. (2025) Zr4+-reinforced zwitterionic hydrogels with multiple dynamic networks for ultrasensitive strain sensing in next-generation wearable electronics. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2025.164546] |
| 26. Qifang Zheng, Peilun Shen, Chao Su, Liuyang Dong, Dianwen Liu. (2025) Selective depression mechanism: surface chemistry and molecular dynamics study on the flotation separation of chalcopyrite and pyrrhotite. Journal of Environmental Chemical Engineering, [PMID:] [10.1016/j.jece.2025.119856] |
| 27. Xiaojie Li, Mengxia Shen, Jiaojiao Sun, Chuanyin Xiong, Yujun Liu, Lin Hou, Feiguo Hua. (2025) Bottom-Up Assembly of Biomass-Derived MXene Aerogels with Hierarchical Electromagnetic Interfaces for Multifunctional Electromagnetic Wave Absorption. Small, [PMID:41340459] [10.1002/smll.202510286] |
| 28. Chao Su, Jinpeng Cai, Hao Lai, Qifang Zheng, Peilun Shen, Dianwen Liu. (2025) Study on the mechanism of calcium lignosulfonate in chromium-free flotation separation of chalcopyrite and galena. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, [PMID:] [10.1016/j.colsurfa.2025.137445] |
| 29. Pengfei Tian, Yunan Shen, Yuzhe Hua, Zilong Chen, Zhifan Chen, Qingjie Guo, Hongjing Tian. (2025) Study on the modulation mechanism of calcium lignosulfonate-modified Ca(OH)2 and its application in flue gas desulfurization. MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING, [PMID:] [10.1016/j.mssp.2025.110172] |
