Calcium formate - ≥97% , CAS No.544-17-2

CAS: 544-17-2 Cat. No.: C1527988 Molecular Weight: 130.11 Beilstein Registry Number: 3624099 EC Number: 208-863-7

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Overview

Calcium formate is a water-soluble salt that can be obtained as a byproduct in the production of polyols. It can serve as an effective source of calcium in dietary supplements.

Specifications

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C(=O)[O-].C(=O)[O-].[Ca+2]
• IUPAC Name: calcium;diformate
• InChIKey: CBOCVOKPQGJKKJ-UHFFFAOYSA-L
• INCHI: 1S/2CH2O2.Ca/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2
• Isomeric SMILES: C(=O)[O-].C(=O)[O-].[Ca+2]
• WGK Germany: 1
• RTECS: LQ5600000
• Molecular Weight: 130.11
• Beilstein: 3624099
• Reaxy-Rn: 3624099
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3624099&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid salts
• Alternative Parents: Organic calcium salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Carboxylic acid salt - Organic calcium salt - Monocarboxylic acid or derivatives - Carboxylic acid - 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 carboxylic acid salts. These are ionic derivatives of carboxylic acid.
• External Descriptors: Pesticides

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

• Melt Point(°C): 300°C
• Molecular Weight: 130.110 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 129.958 Da
• Monoisotopic Mass: 129.958 Da
• Topological Polar Surface Area: 80.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 7.500
• 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. Yanchen Oinam, Prabhat Vashishtha, Mandip Dahal, Sukhoon Pyo.  (2023)  Calcined paper mill lime mud as an activator in GGBFS-based cementless UHPC.  Developments in the Built Environment,      [PMID:] [10.1016/j.dibe.2023.100289]

2. Mandip Dahal, Yanchen Oinam, Prabhat Vashistha, Jae-Eun Oh, Sukhoon Pyo.  (2023)  Cementless ultra-high performance concrete (UHPC) using CaO-activated GGBFS and calcium formate as an accelerator.  Journal of Building Engineering,      [PMID:] [10.1016/j.jobe.2023.107000]

3. Yanchen Oinam, Suhawn Ju, Myoungsu Shin, Sukhoon Pyo.  (2023)  Influence of cellulose micro-fibers on hydration characteristics of cementless UHPC using CaO-activated GGBFS.  CONSTRUCTION AND BUILDING MATERIALS,      [PMID:] [10.1016/j.conbuildmat.2023.131747]

4. Woo Sung Yum, Juan Yu, Dongho Jeon, Haemin Song, Sungwon Sim, Do Hoon Kim, Jae Eun Oh.  (2021)  Mechanical and Durability Properties of Cementless Concretes Made Using Three Types of CaO-Activated GGBFS Binders.  Materials,  15  (1): (271).  [PMID:35009417] [10.3390/ma15010271]

5. Yiming Wang, Jiangyu Wu, Hai Pu.  (2021)  Effect of calcium formate as an accelerator on dilatancy deformation, strength and microstructure of cemented tailings backfill.  CHEMOSPHERE,      [PMID:34718028] [10.1016/j.chemosphere.2021.132710]

6. Rui Han, Jihui Gao, Siyu Wei, Fei Sun, Qingling Liu, Yukun Qin.  (2020)  Development of dense Ca-based, Al-stabilized composites with high volumetric energy density for thermochemical energy storage of concentrated solar power.  ENERGY CONVERSION AND MANAGEMENT,      [PMID:] [10.1016/j.enconman.2020.113201]

7. Kai Li, Guan Zhang, Ze-xiang Wang, Bin Hu, Qiang Lu.  (2020)  Calcium formate assisted catalytic pyrolysis of pine for enhanced production of monocyclic aromatic hydrocarbons over bimetal-modified HZSM-5.  BIORESOURCE TECHNOLOGY,      [PMID:32668348] [10.1016/j.biortech.2020.123805]

8. Woo Sung Yum, Jung-Il Suh, Dongho Jeon, Jae Eun Oh.  (2020)  Strength enhancement of CaO-activated slag system through addition of calcium formate as a new auxiliary activator.  CEMENT & CONCRETE COMPOSITES,      [PMID:] [10.1016/j.cemconcomp.2020.103572]

9. Zisheng Zhang, Xianyi Wang, Jun Ma, Renzhou Bian, Hong Sui, Lin He, Xingang Li.  (2019)  Measurement and Correlation of Solubility of Calcium Formate (Form α) in Different Binary Solvent Mixtures at Temperatures from 283.15 to 323.15 K.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,      [PMID:] [10.1021/acs.jced.9b00009]

10. Wang Huaqing, Zhang Shuguang, Wu Beining.  (2018)  Experimental study on selection of early-strength agent for low-strength cementitious materials prepared with manganese tailings.  Environmental Earth Sciences,  77  (6): (1-7).  [PMID:] [10.1007/s12665-018-7415-5]

11. Rui Han, Jihui Gao, Siyu Wei, Yanlin Su, Yukun Qin.  (2018)  Development of highly effective CaO@Al2O3 with hierarchical architecture CO2 sorbents via a scalable limited-space chemical vapor deposition technique.  Journal of Materials Chemistry A,  6  (8): (3462-3470).  [PMID:] [10.1039/C7TA09960F]