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546-89-4

Basic Information
CAS No.: 546-89-4
Name: Lithium acetate
Article Data: 19
Molecular Structure:
Molecular Structure of 546-89-4 (Lithium acetate)
Formula: C2H3LiO2
Molecular Weight: 65.9856
Synonyms: Aceticacid, lithium salt (8CI,9CI);Lithium acetate (6CI);Lithium ethanoate;Quilone;Quilonorm;Quilonum;
EINECS: 208-914-3
Density: 1.3[at 20℃]
Melting Point: 280-285 °C
Boiling Point: 117.1 °C at 760 mmHg
Flash Point: 40 °C
Solubility: H2O: 5 M at 20 °C, clear, colorless
Appearance: solid
Hazard Symbols: IrritantXi
Risk Codes: 36
Safety: 23-24/25-39-26-22
PSA: 40.13000
LogP: -1.24380
Synthetic route
36649-96-4

lithium pentafluorobenzenesulfinate

1600-27-7

mercury(II) diacetate

A

17314-19-1

C6F5HgO(O)CCH3

B

546-89-4

lithium acetate

Conditions
ConditionsYield
In water in aq. suspension at 25°C, molar ratio of LiOS(O)C6F5 and Hg comp. = 1.0:2.1, immediately react.;A 55%
B n/a
In water in aq. suspension at 25°C, molar ratio of LiOS(O)C6F5 and Hg comp. = 1.0:2.1, immediately react.;A 55%
B n/a
14680-31-0

lithium tert-butyl hydroperoxide

67-64-1

acetone

A

50-00-0

formaldehyd

B

556-63-8

lithium formate

C

546-89-4

lithium acetate

D

75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
lithium tert-butoxide In n-heptane at 40℃; Rate constant; Kinetics; other solvents and inhibitors investigated; Energy of activation, A-factor;;
14680-31-0

lithium tert-butyl hydroperoxide

A

556-63-8

lithium formate

B

546-89-4

lithium acetate

C

1907-33-1

lithium tert-butoxide

D

75-65-0

tert-butyl alcohol

E

LiOH

LiOH

Conditions
ConditionsYield
In various solvent(s) at 80℃; for 8h; Yield given. Yields of byproduct given;
In toluene; cyclohexene at 85℃; for 5h; Kinetics; Product distribution; other solvent, other temperature, other time;
In toluene; cyclohexene at 85℃; for 5h; Yield given. Yields of byproduct given;
109-72-8, 29786-93-4

n-butyllithium

3240-34-4

[bis(acetoxy)iodo]benzene

A

542-69-8

1-iodo-butane

B

591-50-4

iodobenzene

C

111-65-9

octane

D

591-78-6

n-hexan-2-one

E

546-89-4

lithium acetate

F

71-43-2

benzene

G

LiI

LiI

Conditions
ConditionsYield
In tetrahydrofuran at -5℃; for 0.0833333h; Product distribution; Mechanism; various amounts of nBuLi, other iodine compounds, various organolithium reagents;

2C4H9O2(1-)*C4H9O(1-)*3Li(1+)

A

556-63-8

lithium formate

B

546-89-4

lithium acetate

C

1907-33-1

lithium tert-butoxide

D

75-65-0

tert-butyl alcohol

E

LiOH

LiOH

Conditions
ConditionsYield
1-amino-naphthalene In n-heptane at 80℃; Thermodynamic data; Rate constant; other temperature, other solvent, reaction energy, activation entropy, activation enthalpy, gibbs function;

lithium nitrate

563-63-3

silver(I) acetate

A

546-89-4

lithium acetate

B

silver nitrate

Conditions
ConditionsYield
In acetic acid equilibrium in glacial acetic acid;;
Conditions
ConditionsYield
In solid heating at 50-195°C;
In neat (no solvent, solid phase) 110-180°C; XRD;
7439-93-2

lithium

64-19-7

acetic acid

546-89-4

lithium acetate

Conditions
ConditionsYield
In neat (no solvent) Ar;

Li(UO2Acet3)*2H2O

A

17442-23-8, 541-09-3

uranyl diacetate

B

546-89-4

lithium acetate

Conditions
ConditionsYield
In neat (no solvent) thermolysis in the absence of O2;
830-03-5

4-nitrophenol acetate

A

100-02-7

4-nitro-phenol

B

546-89-4

lithium acetate

Conditions
ConditionsYield
With perchloric acid; water; lithium perchlorate; 2-amino-2-hydroxymethyl-1,3-propanediol pH=7.3 - 8.9; Activation energy; Kinetics; Mechanism; Temperature;
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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

DOT Classification:  4.2; Label: Spontaneously Combustible

Specification

The Lithium acetate, with the CAS registry number 546-89-4, is also known as Acetic acid, lithium salt (1:1). It belongs to the product categories of Organic-Metal Salt; Lithium Compounds; Classes of Metal Compounds; Li (Lithium) Compounds; Typical Metal Compounds; LithiumMicro/Nanoelectronics; Inorganic Salts; Lithium; Solution Deposition Precursors; Synthetic Reagents. Its EINECS registry number is 208-914-3. This chemical's molecular formula is C2H3LiO2 and molecular weight is 65.99. Its IUPAC name is called lithium acetate. Lithium acetate is used in the laboratory as buffer for gel electrophoresis of DNA and RNA.

Physical properties of Lithium acetate: (1)ACD/LogP: -0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.07; (4)ACD/LogD (pH 7.4): -2.86; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.73; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)Flash Point: 40 °C; (12)Enthalpy of Vaporization: 23.7 kJ/mol; (13)Boiling Point: 117.1 °C at 760 mmHg; (14)Vapour Pressure: 13.9 mmHg at 25°C.

Uses of Lithium acetate: it can be used to produce trans-4-Acetoxy-3-bromo-1,2,3,4-tetrahydroacridine. This reaction will need reagent N-bromoacetamide and solvent acetic acid. The reaction time is 4 hours at ambient temperature. The yield is about 85%.

Lithium acetate can be used to produce trans-4-Acetoxy-3-bromo-1,2,3,4-tetrahydroacridine

Uses of Lithium acetate: Lithium acetate is used in the laboratory as buffer for gel electrophoresis of DNA and RNA. It has a lower electrical conductivity and can be run at higher speeds than can gels made from TAE buffer (5-30V/cm as compared to 5-10V/cm). Lithium boric acid or sodium boric acid are usually preferable to lithium acetate or TAE when analyzing smaller fragments of DNA (less than 500 bp) due to the higher resolution of borate-based buffers in this size range as compared to acetate buffers. Lithium acetate is also used to permeabilize the cell wall of yeast for use in DNA transformation.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes. You should not breathe its gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). What's more, you must avoid contact with skin and eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Wear eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: [Li+].CC(=O)[O-]
(2)InChI: InChI=1S/C2H4O2.Li/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
(3)InChIKey: XIXADJRWDQXREU-UHFFFAOYSA-M

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 1500mg/kg (1500mg/kg)   Pharmacology and Toxicology. English translation of FATOAO. Vol. 21, Pg. 419, 1958.
mouse LDLo subcutaneous 1500mg/kg (1500mg/kg)   Pharmacology and Toxicology. English translation of FATOAO. Vol. 21, Pg. 419, 1958.