Calcium stearate - Ca 6.6-7.4% , CAS No.1592-23-0

CAS: 1592-23-0 Cat. No.: C113301 Molecular Weight: 607.02 Beilstein Registry Number: 3919698 EC Number: 216-472-8

GRADE & PURITY Ca 6.6-7.4%

Synonyms

Calcium octadecanoate | Octadecanoic acid, calcium salt | Calcium distearate | Stearic Acid Calcium Salt

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Calcium octadecanoate | Octadecanoic acid, calcium salt | Calcium distearate | Stearic Acid Calcium Salt

Specifications & Purity

Ca 6.6-7.4%

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 488182104
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182104
• Canonical Smiles: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ca+2]
• IUPAC Name: calcium;octadecanoate
• InChIKey: CJZGTCYPCWQAJB-UHFFFAOYSA-L
• INCHI: 1S/2C18H36O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2
• Isomeric SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ca+2]
• RTECS: WI3000000
• Molecular Weight: 607.02
• Beilstein: 3919698
• Reaxy-Rn: 3919698
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3919698&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Straight chain fatty acids Carboxylic acid salts Organic calcium salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Long-chain fatty acid - Straight chain fatty acid - Carboxylic acid salt - Organic calcium salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Insoluble in water, slightly soluble in hot ethanol.
• Sensitivity: Hygroscopic.
• Melt Point(°C): 175°C
• Molecular Weight: 607.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 30
• Exact Mass: 606.49 Da
• Monoisotopic Mass: 606.49 Da
• Topological Polar Surface Area: 80.300 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 196.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3

References

1. Changtong Song, Hongyi Shu, Xianhong Zhang, Yuhong Ma, Dong Chen, Wantai Yang.  (2023)  Study on the lubrication behavior of low molecular weight poly(vinyl chloride-co-n-butyl acrylate-co-vinyl acetate) ternary copolymer in rigid PVC.  JOURNAL OF POLYMER SCIENCE,      [PMID:] [10.1002/pol.20230640]

2. Liang Zhou, Zhicheng Xu, Wenjie Xu, Huiling Jiang, Wenting Xu.  (2023)  Novel preparation method and fire performance study of EPS composites based on calcium sulphate hemihydrate.  FIRE SAFETY JOURNAL,      [PMID:] [10.1016/j.firesaf.2023.103976]

3. Zhenyu Wu, Jinjin Cai, Zhonghui Liu, Xiaojiang Liang, Shangzhi Yu, Yong Nie.  (2023)  Utilization of biodiesel and glycerol for the synthesis of epoxidized acyl glycerides and its application as a plasticizer.  JOURNAL OF THE AMERICAN OIL CHEMISTS SOCIETY,  100  (9): (733-741).  [PMID:] [10.1002/aocs.12715]

4. Siyu Pan, Jun Yan, Xu Peng, Zhou Xu, Qi Zeng, Zhonghui Wang, Minzhong Zhao, Yi Chen.  (2023)  Y-Shaping All Components in Waste Cooking Oil-Derived Epoxidized Fatty Acid Methyl Esters toward a Leaching-Resistant Bioplasticizer.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.2c06142]

5. Xiangyao Li, Jie Zhang, Chengchao Liu, Wenmin Mu, Zhe Kong, Yan Li, Zhongwei Wang, Qing Yu, Guiqing Cheng, Long Chen.  (2022)  Effects of Pine Needle Extracts on the Degradation of LLDPE.  Polymers,  15  (1): (32).  [PMID:36616382] [10.3390/polym15010032]

6. Weipeng Feng, Yu Jin, Dapeng Zheng, Yuan Fang, Zhijun Dong, Hongzhi Cui.  (2022)  Study of triethanolamine on regulating early strength of fly ash-based chemically foamed geopolymer.  CEMENT AND CONCRETE RESEARCH,      [PMID:] [10.1016/j.cemconres.2022.107005]

7. Yufeng Ma, Yu Bei, Meng Zhang, Fei Song, Feilong Hu, Zhimin Kou, Lihong Hu, Yonghong Zhou, Puyou Jia.  (2022)  Synthesis of woody oil-based plasticizer via solvent-free Diels-Alder reaction and its biodegradability.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2022.115646]

8. Chunling Dong, Ningning Shao, Feng Yan, Ru Ji, Xuankun Wei, Zuotai Zhang.  (2022)  A novel integration strategy for the foaming and hydrophobization of geopolymer foams.  CEMENT AND CONCRETE RESEARCH,      [PMID:] [10.1016/j.cemconres.2022.106919]

9. Chaoqun Li, Ke Zhang, Aidi Liu, Tianxiang Yue, Yinghui Wei, Hangsheng Zheng, Ji-Gang Piao, Fanzhu Li.  (2021)  MMP2-responsive dual-targeting drug delivery system for valence-controlled arsenic trioxide prodrug delivery against hepatic carcinoma.  INTERNATIONAL JOURNAL OF PHARMACEUTICS,      [PMID:34678398] [10.1016/j.ijpharm.2021.121209]

10. Xuejun Duan, Heng Chen, Huan Liu, Ming Chen, Shaojun Chen, Jihua Gao.  (2021)  A citric acid/cysteine based bioadditive for plasticization and enhancing UV shielding of poly(vinyl chloride).  POLYMER INTERNATIONAL,  71  (2): (227-231).  [PMID:] [10.1002/pi.6307]

11. Xiaojiang Liang, Fengjiao Wu, Qinglong Xie, Zhenyu Wu, Jinjin Cai, Congwen Zheng, Junhong Fu, Yong Nie.  (2021)  Insights into biobased epoxidized fatty acid isobutyl esters from biodiesel: Preparation and application as plasticizer.  CHINESE JOURNAL OF CHEMICAL ENGINEERING,      [PMID:] [10.1016/j.cjche.2021.03.048]

12. Zhimin Fu, Zhanhong Yang, Yao Rong, Lie Deng, Jian Wu.  (2021)  A zinc Schiff base complex as high-efficiency stabilizer for flexible poly(vinyl chloride) against thermal degradation.  JOURNAL OF VINYL & ADDITIVE TECHNOLOGY,  27  (2): (367-375).  [PMID:] [10.1002/vnl.21812]

13. Qingtao Wang, Wenhui Liu, Lixin Pei, Zhenghong Cai, Houyong Luo, Xiaofeng Wang, Dongdong Zhang, Jinzhong Liu.  (2021)  Hydrocarbon generation from calcium stearate: Insights from closed-system pyrolysis.  MARINE AND PETROLEUM GEOLOGY,      [PMID:] [10.1016/j.marpetgeo.2021.104923]

14. Huimin Xia, Kun Sui, Tengteng Ge, Fazong Wu, Qiqi Sun, Zhongwei Wang, Liang Song, Xiaowen Huang, Qing Yu.  (2020)  Natural compounds from Punica granatum peel as multiple stabilizers for polyethylene.  POLYMER ENGINEERING AND SCIENCE,  60  (11): (2761-2769).  [PMID:] [10.1002/pen.25506]

15. Jianyu Wu, Zilun Tang, Xiaochun Liu, Wenjing Lin, Minghui Feng, Xiaofeng Lin, Yuxin Gu, Yong Li, Guobin Yi.  (2020)  A facile strategy improving poly(vinyl chloride) stability by introducing unsaturated maleic acid-sorbitol ester and zinc maleic acid-sorbitol ester complex.  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2020.109343]

16. Huimin Xia, Hui Gao, Qiqi Sun, Fazong Wu, Tengteng Ge, Kun Sui, Zhongwei Wang, Liang Song, Xiaowen Huang, Qing Yu.  (2020)  Puerarin, an efficient natural stabilizer for both polyethylene and polypropylene.  JOURNAL OF APPLIED POLYMER SCIENCE,  137  (48): (49599).  [PMID:] [10.1002/app.49599]

17. Biao Ma, Xu Wang, Songyan Lu, Huiwen He, Meng Ma, Yanqin Shi, Si Chen.  (2019)  A novel double agent of triazole-based zinc-containing complex which constituted Zn/Zn stabilizer system with zinc stearate as thermal stabilizer for poly(vinyl chloride).  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2019.108953]

18. Xu Wang, Biao Ma, Yating Wang, Songyan Lu, Meng Ma, Yanqin Shi, Si Chen.  (2019)  A new theory of “two-step stabilization mechanism” for triazole-based zinc-containing complex as thermal stabilizer for poly(vinyl chloride).  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2019.06.027]

19. Yanqin Shi, Songyan Lu, Biao Ma, Meng Ma, Huiwen He, Si Chen, Xu Wang.  (2019)  A “one stop” thermal stabilizer, zinc arginine complex, with excellent comprehensive thermal stability effect on poly(vinyl chloride).  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2019.06.016]

20. Qiufeng Ye, Xiaotao Ma, Bobin Li, Zhe Jin, Yingying Xu, Cheng Fang, Xiaoya Zhou, Yeqian Ge, Feng Ye.  (2019)  Development and Investigation of Lanthanum Sulfadiazine with Calcium Stearate and Epoxidised Soyabean Oil as Complex Thermal Stabilizers for Stabilizing Poly(vinyl chloride).  Polymers,  11  (3): (531).  [PMID:30960515] [10.3390/polym11030531]

21. Jun Chang, Cang Xiong, Yangyang Zhang, Dan Wang.  (2019)  Foaming characteristics and microstructure of aerated steel slag block prepared by accelerated carbonation.  CONSTRUCTION AND BUILDING MATERIALS,      [PMID:] [10.1016/j.conbuildmat.2019.03.077]

22. Chen Si, Wang Yating, An Zhihang, Ma Meng, Shi Yanqin, Wang Xu.  (2018)  Stability, antibacterial ability, and inhibition of “zinc burning” of amitrole as thermal stabilizer for transparent poly(vinyl chloride).  JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY,  137  (2): (437-446).  [PMID:] [10.1007/s10973-018-7929-9]

23. Yanqin Shi, Yating Wang, Biao Ma, Meng Ma, Si Chen, Xu Wang.  (2018)  Tensile properties, thermal stability, and the mechanism of PVC stabilized with zinc and calcium oxolinic complexes.  JOURNAL OF APPLIED POLYMER SCIENCE,  136  (4): (47004).  [PMID:] [10.1002/app.47004]

24. Pei Xie, Kai Wang, Jisong Zhang, Yunpeng Hu, Guangsheng Luo.  (2018)  In Situ Removal of HBr via Microdroplets for High Selectivity Bromobutyl Rubber Synthesis in a Microreaction System.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.8b01884]

25. Ting Zheng, Zhenyu Wu, Qinglong Xie, Jiaojiao Fang, Yunchen Hu, Meizhen Lu, Fan Xia, Yong Nie, Jianbing Ji.  (2018)  Structural modification of waste cooking oil methyl esters as cleaner plasticizer to substitute toxic dioctyl phthalate.  Journal of Cleaner Production,      [PMID:] [10.1016/j.jclepro.2018.03.175]

26. Jiandong Wu, Zerui Zhang, Yi Zhang, Dongxu Li.  (2018)  Preparation and characterization of ultra-lightweight foamed geopolymer (UFG) based on fly ash-metakaolin blends.  CONSTRUCTION AND BUILDING MATERIALS,      [PMID:] [10.1016/j.conbuildmat.2018.02.097]

27. Pei Xie, Kai Wang, Guangsheng Luo.  (2018)  Calcium Stearate as an Acid Scavenger for Synthesizing High Concentrations of Bromobutyl Rubber in a Microreactor System.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.8b00285]

28. Yanqin Shi, Si Chen, Meng Ma, Bozhen Wu, Jie Ying, Xiaopeng Xu, Xu Wang.  (2016)  Highly efficient and antibacterial zinc norfloxacin thermal stabilizer for poly(vinyl chloride).  RSC Advances,  6  (100): (97491-97502).  [PMID:] [10.1039/C6RA17912F]

29. Pei Xie, Kai Wang, Peijian Wang, Yang Xia, Guangsheng Luo.  (2016)  Synthesizing bromobutyl rubber by a microreactor system.  AICHE JOURNAL,  63  (3): (1002-1009).  [PMID:] [10.1002/aic.15431]

30. Yuhan Wang, Qingyuan Xu, Bao Lu, Jinfeng Sun, Zhonglun Zhang, Chuanlin Hu, Guihua Hou.  (2025)  A novel approach for the preparation of low thermal conductivity foam concrete with γ-C2S carbonation and aragonite-reinforced pore walls.  CONSTRUCTION AND BUILDING MATERIALS,      [PMID:] [10.1016/j.conbuildmat.2025.142934]