Calcium propionate - analytical standard , CAS No.4075-81-4

CAS: 4075-81-4 Cat. No.: C112471 Formula: C₆H₁₀CaO₄ Peso molecolare: 186.22 Beilstein Registry Number: 3698682 Numero EC: 223-795-8

GRADE & PURITY Analytical standard

Synonyms

AKOS015903218 | CALCIUM PROPIONATE [WHO-DD] | INS NO.282 | 8AI80040KW | Propanoic acid, calcium salt | Propanoic acid, calcium salt (2:1) | Calcium dipropionate | Calcium propionate;Bioban-C; Calcium dipropionate | CALCIUM PROPIONATE [HSDB] | calciumpropi

Storage

Desiccated,Room temperature

Shipped In

Normal

Specifications

Sinonimi

AKOS015903218 | CALCIUM PROPIONATE [WHO-DD] | INS NO.282 | 8AI80040KW | Propanoic acid, calcium salt | Propanoic acid, calcium salt (2:1) | Calcium dipropionate | Calcium propionate;Bioban-C; Calcium dipropionate | CALCIUM PROPIONATE [HSDB] | calciumpropi

Specifiche e purezza

analytical standard

Condizioni di conservazione di stoccaggio

Desiccated,Room temperature

Spedito in

Normal

Grado

Standard analitico

Nomi e identificatori

• Pubchem Sid: 528769261
• Sorrisi canonici: CCC(=O)[O-].CCC(=O)[O-].[Ca+2]
• IUPAC Name: calcium;propanoate
• InChIKey: BCZXFFBUYPCTSJ-UHFFFAOYSA-L
• INCHI: 1S/2C3H6O2.Ca/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2
• Isomeri SMILES: CCC(=O)[O-].CCC(=O)[O-].[Ca+2]
• WGK Germania: 2
• RTECS: UE8450000
• Peso molecolare: 186.22
• Beilstein: 3698682
• Reaxy-Rn: 3698682
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3698682&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Descrizione: This compound belongs to the class of organic compounds known as carboxylic acid salts. These are ionic derivatives of carboxylic acid.
• External Descriptors: dicarboxylic acid

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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 300°C
• Peso molecolare: 186.220 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 186.02 Da
• Monoisotopic Mass: 186.02 Da
• Topological Polar Surface Area: 80.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 34.600
• 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

Riferimenti

1. Chuying Chen, Xuan Peng, Rong Zeng, Chunpeng Wan, Ming Chen, Jinyin Chen.  (2016)  Physiological and Biochemical Responses in Cold-Stored Citrus Fruits to Carboxymethyl Cellulose Coating Containing Ethanol Extract of Impatiens balsamina L. Stems.  JOURNAL OF FOOD PROCESSING AND PRESERVATION,  41  (4): (e12999).  [PMID:] [10.1111/jfpp.12999]

2. Meng Wei, Junyi Han, Chen Yu, Pan Li, Xiaoye Zhang, Jiheng Ding, Mengwei Chen, Xuke Li, Guangqiang Yin, Tao Zhang, Jinggang Wang, Partick Théato, Tao Chen, Wei Lu.  (2025)  Mass Diffusion-Dominated Phase Separation Enabling On-Demand and Repeatable Lifetime Programming of Room-Temperature Phosphorescence Polymer Hydrogels.  ADVANCED MATERIALS,      [PMID:41267431] [10.1002/adma.202517109]