Lithium acetate (CED0002771)

Record Information

Version

1.0

Creation Date

2016-05-19 04:01:12 UTC

Update Date

2026-04-17 17:41:37 UTC

Accession Number

CHEM012748

Identification

Common Name

Lithium acetate

Class

Small Molecule

Description

Lithium acetate is an organic compound with the chemical formula C2H3LiO2 and an average molecular weight of 65.98 g/mol. Lithium acetate belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. In industrial applications, this compound serves as a catalyst. It is found in or released from nine recorded sources across various sectors. Within electrical and electronic equipment, it is associated with antennas, relays, electric hearing aids, gas filled discharge tubes with solid cathode, and superconductive or hyperconductive conductors cables or transmission lines. In the context of food, food processing and cookware, lithium acetate is linked to brew kettles and the preparation of vinegar, wine, or sparkling wine. Additionally, it is found in household cleaning and consumer products, specifically within non electric simulated smoking devices.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Acetic acid lithium salt	ChEBI
Acetic acid, lithium salt	ChEBI
AcOLi	ChEBI
Anhydrous lithium acetate	ChEBI
CH3CO2li	ChEBI
CH3COOLi	ChEBI
LiOAc	ChEBI
Lithium acetate (anh.)	ChEBI
Lithium acetate (anhydrous)	ChEBI
Lithium ethanoate	ChEBI
Quilonorm	ChEBI
Acetate lithium salt	Generator
Acetate, lithium salt	Generator
Anhydrous lithium acetic acid	Generator
Lithium acetic acid (anh.)	Generator
Lithium acetic acid (anhydrous)	Generator
Lithium ethanoic acid	Generator
Lithium acetic acid	Generator
Lithium;acetic acid	Generator
Lithium acetate	MeSH
Lithium acetate enolate anion	MeSH

Chemical Formula

C₂H₃LiO₂

Average Molecular Mass

65.980 g/mol

Monoisotopic Mass

66.029 g/mol

CAS Registry Number

546-89-4

IUPAC Name

lithium(1+) ion acetate

Traditional Name

lithium(1+) ion acetate

SMILES

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

InChI Identifier

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

InChI Key

XIXADJRWDQXREU-UHFFFAOYSA-M

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as acetate salts. These are organic compounds containing acetic acid as its acid component.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Carboxylic acid derivatives

Direct Parent

Acetate salts

Alternative Parents

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

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

acetate salt (CHEBI:63045 )
organic lithium salt (CHEBI:63045 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	434 g/L	ALOGPS
logP	-0.11	ALOGPS
logP	-0.22	ChemAxon
logS	0.82	ALOGPS
pKa (Strongest Acidic)	4.54	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	40.13 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	23.48 m³·mol⁻¹	ChemAxon
Polarizability	4.96 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-9000000000-8d1c8723f88b6dd0f893	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-9000000000-438447eab09af90255e0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00kf-9000000000-9994dcb4696a92cf4f12	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-9000000000-48e18c10a164ca51f3f6	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-9000000000-6aaa4946934223a0cc1f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-9000000000-3f7aa59f63ecb6045b5d	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
945.0	Log mg/kg	[530:1700]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
506	Antennas	Electrical & Electronic Equipment	Not Available
516	Electric Hearing Aids	Electrical & Electronic Equipment	Not Available
523	Gas Filled Discharge Tubes With Solid Cathode	Electrical & Electronic Equipment	Not Available
531	Relays	Electrical & Electronic Equipment	Not Available
536	Superconductive Or Hyperconductive Conductors Cables Or Transmission Lines	Electrical & Electronic Equipment	Not Available
542	Brew Kettles	Food, food processing & cookware	Not Available
548	Preparation Of Vinegar	Food, food processing & cookware	Not Available
549	Preparation Of Wine Or Sparkling Wine	Food, food processing & cookware	Not Available
559	Non Electric Simulated Smoking Devices	Household cleaning & consumer products	Not Available
579	Manufacture Of Iron Or Steel	Industrial manufacturing & chemical processing	Not Available
592	Marine Propulsion Or Steering	Marine, shipping & aquaculture	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
631	Anthraquinone Dyes	Textiles, leather & furnishings	Not Available
633	Azo Dyes	Textiles, leather & furnishings	Not Available
634	Buckles	Textiles, leather & furnishings	Not Available
638	Decorating Textiles	Textiles, leather & furnishings	Not Available
648	Nitro Dyes	Textiles, leather & furnishings	Not Available
654	Sleeve Links	Textiles, leather & furnishings	Not Available
655	Slide Fasteners	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	3-isopropylmalate dehydrogenase	Q5SIY4	Thermus thermophilus	Predicted (SEA)	0.0778492
Click to view 3D structure	Free fatty acid receptor 3	B2GV46	Rattus norvegicus	Predicted (SEA)	0.622794
Click to view 3D structure	1-deoxy-D-xylulose-5-phosphate synthase	B7UJP3	Escherichia coli O127:H6 (strain E2348/69 / EPEC)	Predicted (SEA)	7.94062
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	5506.43
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	6775.45
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	6050.67
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	6409.87
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	7094.24
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	6699.94
Click to view 3D structure	Endolysin	P00720	Enterobacteria phage T4	Predicted (SEA)	112.648
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	6177.73
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	7037.96
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	684.295
Click to view 3D structure	1-deoxy-D-xylulose-5-phosphate synthase	P77488	Escherichia coli (strain K12)	Predicted (SEA)	21.5642
Click to view 3D structure	Lysine-specific demethylase 2A	Q9Y2K7	Humans	Predicted (SEA)	2813.7
Click to view 3D structure	Histone lysine demethylase PHF8	Q9UPP1	Humans	Predicted (SEA)	706.17
Click to view 3D structure	Olfactory receptor 51E2	Q9H255	Humans	Predicted (SEA)	52.2368
Click to view 3D structure	Short transient receptor potential channel 4	Q9QUQ5	Mus musculus	Predicted (SEA)	6437.27
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	6074.89
Click to view 3D structure	Lysine-specific demethylase 5C	P41229	Humans	Predicted (SEA)	3804.34
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P08482	Rattus norvegicus	Predicted (SEA)	5561.24
Click to view 3D structure	3-hydroxyanthranilate 3,4-dioxygenase	P46952	Humans	Predicted (SEA)	96.6109
Click to view 3D structure	3-hydroxyanthranilate 3,4-dioxygenase	P46953	Rattus norvegicus	Predicted (SEA)	96.6109
Click to view 3D structure	Fumarate hydratase, mitochondrial	P10173	Sus scrofa	Predicted (SEA)	3.11397
Click to view 3D structure	Complement factor D	P32038	Rattus norvegicus	Predicted (SEA)	457.831