Potassium stearate - AR, ≥98% , CAS No.593-29-3

CAS: 593-29-3 Cat. No.: P112436 Formula: C₁₈H₃₆O₂·K Molecular Weight: 322.57 EC Number: 209-786-1

GRADE & PURITY AR, ≥98%

Synonyms

Stearic acid, potassium salt | Octadecanoic acid, potassium salt | 17V812XK50 | Potassium octadecanoate | INS NO.470(I)STEARIC ACID, POTASSIUM SALT | UNII-17V812XK50 | Testosterone,5.alpha.-dihydro-2.alpha.-methyl-, propionate | EINECS 209-786-1 | Rashaya

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Stearic acid, potassium salt | Octadecanoic acid, potassium salt | 17V812XK50 | Potassium octadecanoate | INS NO.470(I)STEARIC ACID, POTASSIUM SALT | UNII-17V812XK50 | Testosterone,5.alpha.-dihydro-2.alpha.-methyl-, propionate | EINECS 209-786-1 | Rashaya

Specifications & Purity

AR, ≥98%

Storage

Room temperature

Shipped In

Normal

Grade

AR

Purity

≥98%

Names and Identifiers

Pubchem Sid

504769590

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769590

Canonical Smiles

CCCCCCCCCCCCCCCCCC(=O)[O-].[K+]

IUPAC Name

potassium;octadecanoate

InChIKey

ANBFRLKBEIFNQU-UHFFFAOYSA-M

INCHI

1S/C18H36O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].[K+]

Molecular Weight

322.57

Reaxy-Rn

3919487

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3919487&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: Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic potassium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Carboxylic acid salt - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - 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

• Sensitivity: Moisture sensitive.
• Molecular Weight: 322.600 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 322.227 Da
• Monoisotopic Mass: 322.227 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 207.000
• 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: 2

XLogP3