Lithium acetate - anhydrous, ≥99% , CAS No.546-89-4

CAS: 546-89-4 Cat. No.: L102778 Formula: C₂H₃LiO₂ Molecular Weight: 65.99 EC Number: 208-914-3

GRADE & PURITY Anhydrous Grade, ≥99%

Synonyms

Lithium acetate|546-89-4|lithiumacetate|Quilone|lithium;acetate|Acetic acid lithium salt|ACETIC ACID, LITHIUM SALT|lithium ethanoate|AcOLi|LiOAc|Acetic acid, lithium salt (1:1)|Lithium ethanate|H4278O5FLV|EINECS 208-914-3|lithium(1+) ion acetate|UNII-H427

Storage

Desiccated,Room temperature

Shipped In

Normal

Specifications

Synonyms

Lithium acetate | 546-89-4 | lithiumacetate | Quilone | lithium;acetate | Acetic acid lithium salt | ACETIC ACID, LITHIUM SALT | lithium ethanoate | AcOLi | LiOAc | Acetic acid, lithium salt (1:1) | Lithium ethanate | H4278O5FLV | EINECS 208-914-3 | lithium(1+) ion acetate | UNII-H427

Specifications & Purity

anhydrous, ≥99%

Storage

Desiccated,Room temperature

Shipped In

Normal

Grade

Anhydrous Grade

Purity

≥99%

Names and Identifiers

Pubchem Sid

508816767

Canonical Smiles

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

IUPAC Name

lithium;acetate

InChIKey

XIXADJRWDQXREU-UHFFFAOYSA-M

INCHI

1S/C2H4O2.Li/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1

Isomeric SMILES

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

WGK Germany

1

RTECS

AI5450000

Molecular Weight

65.99

Reaxy-Rn

3564320

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3564320&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid salts
          • Level6 Acetate salts

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid salts
• Direct Parent: Acetate salts
• Alternative Parents: Organic lithium salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetate salt - Organic lithium salt - Organic alkali metal 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 acetate salts. These are organic compounds containing acetic acid as its acid component.
• External Descriptors: acetate salt - organic lithium salt

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: Hygroscopic.
• Melt Point(°C): 283-285 °C (lit.)
• Molecular Weight: 66.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 66.0293 Da
• Monoisotopic Mass: 66.0293 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 5
• 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: 2

XLogP3