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4485-12-5

Basic Information
CAS No.: 4485-12-5
Name: Lithium stearate
Article Data: 1
Molecular Structure:
Molecular Structure of 4485-12-5 (Lithium stearate)
Formula: C18H35LiO2
Molecular Weight: 290.416
Synonyms: Octadecanoicacid, lithium salt (9CI);Stearic acid, lithium salt (8CI);AFCO-Chem LIS;Lithalure;Lithium octadecanoate;Lithium stearate;Litholite;S 7000;S 7000(fatty acid);S 7000F;Stavinor 60;
EINECS: 224-772-5
Density: 1.025
Melting Point: 220 °C
Boiling Point: 359.4 °C at 760 mmHg
Flash Point: 162.4 °C
Solubility: Insoluble in water.
Appearance: White powder
Risk Codes: 20/21/22
Safety: 24/25
PSA: 40.13000
LogP: 4.99780
Synthetic route
57-11-4

stearic acid

4485-12-5

lithium stearate

Conditions
ConditionsYield
With lithium hydroxide In water at 75℃;
4485-12-5

lithium stearate

638-66-4

n-Octadecanal

Conditions
ConditionsYield
With 9-borabicyclo[3.3.1]nonane dimer In tetrahydrofuran for 1h; Ambient temperature;99%
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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

ACGIH TLV: TWA 10 mg/m3, total dust
DOT Classification:  4.2; Label: Spontaneously Combustible

Specification

The Lithium stearate, with the CAS registry number 4485-12-5 and EINECS registry number 224-772-5, has the systematic name of lithium octadecanoate. It is a kind of white powder, and belongs to the following product categories: Organic-metal salt; Classes of Metal Compounds; Li (Lithium) Compounds; Typical Metal Compounds. The molecular formula of this chemical is C18H35LiO2.

The physical properties of Lithium stearate are as followings: (1)ACD/LogP: 8.22; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.42; (4)ACD/LogD (pH 7.4): 5.63; (5)ACD/BCF (pH 5.5): 165268.91; (6)ACD/BCF (pH 7.4): 2651.33; (7)ACD/KOC (pH 5.5): 112327.87; (8)ACD/KOC (pH 7.4): 1802.02; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 37.3 Å2; (13)Flash Point: 162.4 °C; (14)Enthalpy of Vaporization: 63.84 kJ/mol; (15)Boiling Point: 359.4 °C at 760 mmHg; (16)Vapour Pressure: 8.58E-06 mmHg at 25°C.

Preparation of Lithium stearate: Dissolve 10g stearic acid in the 100 ml 95% ethanol, and then titrate it with 0.5mol/L lithium hydroxide ethanol solution, take the phenolphthalein as indicator until reach the equivalence point, then filter the lithium stearate soap precipitation, you can get the product. And if you want pure product, recrystallize it with 95% ethanol.

Applictions of Lithium stearate: It can be used as high-temperature lubricant and it is also used as stabilizing agent in plastics industry.

You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take avoid contacting with skin and eyes.
 
You can still convert the following datas into molecular structure:
(1)SMILES: [Li+].[O-]C(=O)CCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C18H36O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1
(3)InChIKey: HGPXWXLYXNVULB-REWHXWOFAL

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 15gm/kg (15000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Journal of the American College of Toxicology. Vol. 1(2), Pg. 143, 1982.