Calcium propionate - ≥99%(in dried substance) , CAS No.4075-81-4

CAS: 4075-81-4 Cat. No.: C492256 Formula: C₆H₁₀CaO₄ Molecular Weight: 186.22 Beilstein Registry Number: 3698682 EC Number: 223-795-8

GRADE & PURITY ≥99%(in dried substance)

Synonyms

CALCIUM PROPIONATE|4075-81-4|Calcium dipropionate|Calcium propanoate|Propanoic acid, calcium salt|Mycoban|calcium;propanoate|Propionic acid, calcium salt|Propanoate (calcium)|Propionic acid calcium salt|propionic acid calcium|Calcium propionate [NF]|DTXSI

Storage

Desiccated,Room temperature

Shipped In

Normal

Specifications

Synonyms

CALCIUM PROPIONATE | 4075-81-4 | Calcium dipropionate | Calcium propanoate | Propanoic acid, calcium salt | Mycoban | calcium;propanoate | Propionic acid, calcium salt | Propanoate (calcium) | Propionic acid calcium salt | propionic acid calcium | Calcium propionate [NF] | DTXSI

Specifications & Purity

≥99%(in dried substance)

Storage

Desiccated,Room temperature

Shipped In

Normal

Purity

≥99%(in dried substance)

Names and Identifiers

Pubchem Sid

504752952

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752952

Canonical Smiles

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

Isomeric SMILES

CCC(=O)[O-].CCC(=O)[O-].[Ca+2]

WGK Germany

2

RTECS

UE8450000

Molecular Weight

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
    • 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: 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

Chemical and Physical Properties

• Sensitivity: moisture sensitive
• Melt Point(°C): 300°C
• Molecular Weight: 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

Frequently Asked Questions

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4075-81-4, the molecular formula is C6H10CaO4, and the molecular weight is 186.22 g/mol. InChIKey BCZXFFBUYPCTSJ-UHFFFAOYSA-L.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.