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

CAS: 4075-81-4 Cat. No.: C112471 Fórmula: C₆H₁₀CaO₄ Peso molecular: 186.22 Beilstein Registry Number: 3698682 Número 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

Sinónimos

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

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Desiccated,Room temperature

Enviado en

Normal

Grado

Patrón analítico

Nombres e identificadores

• Pubchem Sid: 528769261
• Sonrisas canónicas: 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
• Isómeros SMILES: CCC(=O)[O-].CCC(=O)[O-].[Ca+2]
• WGK Alemania: 2
• RTECS: UE8450000
• Peso molecular: 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
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Punto de fusión (°C): 300°C
• Peso molecular: 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

Referencias

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]