Sodium 2-ethylhexanoate - ≥98%(T) , CAS No.19766-89-3

CAS: 19766-89-3 Cat. No.: S133057 Formula: C₈H₁₅NaO₂ Peso molecolare: 166.2 Numero EC: 243-283-8 PubChem CID: 23672331

GRADE & PURITY ≥98%(T)

Synonyms

N-(1-Azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboximidic acid--hydrogen chloride (1/1) | SCHEMBL56210 | EN300-21034 | EN300-7406687 | AC-8416 | AKOS015951113 | J225.270H | AS-80619 | Sodium 2-ethylhexanoate,

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

N-(1-Azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboximidic acid--hydrogen chloride (1/1) | SCHEMBL56210 | EN300-21034 | EN300-7406687 | AC-8416 | AKOS015951113 | J225.270H | AS-80619 | Sodium 2-ethylhexanoate,

Specifiche e purezza

≥98%(T)

Applicazione

Sodium 2-ethylhexanoate is useful in acylation of amines. It is an active ingredient in wood preservative agent. It is mainly used for synthetic 2-ethylhexanoic acid and calcium, magnesium salts. It is also used in salt forming agent of pharmaceutical, dr

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%(T)

Nomi e identificatori

Pubchem Sid

504769577

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769577

Sorrisi canonici

CCCCC(CC)C(=O)[O-].[Na+]

IUPAC Name

sodium;2-ethylhexanoate

InChIKey

VYPDUQYOLCLEGS-UHFFFAOYSA-M

INCHI

1S/C8H16O2.Na/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1

Isomeri SMILES

CCCCC(CC)C(=O)[O-].[Na+]

RTECS

MO7855000

PubChem CID

23672331

Peso molecolare

166.2

Reaxy-Rn

970417

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-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 sodium salt - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 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

Obiettivi associati (umani)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in water.
• Sensibilità: Hygroscopic
• Punto di fusione (°C): >300 °C
• Peso molecolare: 166.190 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 166.097 Da
• Monoisotopic Mass: 166.097 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 104.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Domande frequenti

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 19766-89-3, the molecular formula is C8H15NaO2, and the molecular weight is 166.2 g/mol. InChIKey VYPDUQYOLCLEGS-UHFFFAOYSA-M.

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.