Lithium 2-ethylhexanoate - ≥98% , CAS No.15590-62-2

CAS: 15590-62-2 Cat. No.: L283256 Formule: C₈H₁₅LiO₂ Poids moléculaire: 150.15 Numéro CE: 239-657-5

GRADE & PURITY ≥98%

Synonyms

2-ethylhexanoic acid lithium salt | Hexanoic acid, 2-ethyl-, lithium salt (1:1) | EINECS 239-657-5 | MFCD00058702 | MAZKNBXUMANNDL-UHFFFAOYSA-M | SCHEMBL27603 | FT-0723906 | Lithium 2-ethylhexoxide | lithium;2-ethylhexanoate | DTXSID00884842 | Lithium 2-e

Storage

Room temperature

Specifications

Synonymes

2-ethylhexanoic acid lithium salt | Hexanoic acid, 2-ethyl-, lithium salt (1:1) | EINECS 239-657-5 | MFCD00058702 | MAZKNBXUMANNDL-UHFFFAOYSA-M | SCHEMBL27603 | FT-0723906 | Lithium 2-ethylhexoxide | lithium;2-ethylhexanoate | DTXSID00884842 | Lithium 2-e

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488200456

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488200456

Sourires canoniques

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

IUPAC Name

lithium;2-ethylhexanoate

InChIKey

MAZKNBXUMANNDL-UHFFFAOYSA-M

INCHI

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

Isomères SMILES

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

Poids moléculaire

150.15

Reaxy-Rn

4584929

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4584929&ln=

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 Organic lithium salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Carboxylic acid salt - Organic lithium salt - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Organic cation - Aliphatic acyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 150.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 150.123 Da
• Monoisotopic Mass: 150.123 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