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

CAS: 15590-62-2 Cat. No.: L283256 分子式: C₈H₁₅LiO₂ 分子量: 150.15 EC番号: 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

同義語

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

仕様と純度

≥98%

保管条件

Room temperature

純度

≥98%

名前と識別子

パブケム・シド

488200456

パブケム・シド・ウル

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

カノニカル・スマイル

[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

異性体SMILES

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

分子量

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
    • 分類 Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 分子量: 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