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2223-93-0 Usage

Chemical Properties

Cadmium stearate is a crystalline solid.

General Description

Solid. Used as a lubricant and stabilizer for polyvinyl chloride.

Reactivity Profile

Cadmium stearate has weak oxidizing or reducing powers. Redox reactions can however still occur. The majority of compounds in this class are slightly soluble or insoluble in water. If soluble in water, then the solutions are usually neither strongly acidic nor strongly basic. These compounds are not water-reactive.

Health Hazard

Similar to cadmium; acute toxicity most notably occurs secondary to cadmium ingestion or inhalation of cadmium fumes. Poisoning from inhalation is relatively rare but dangerous, having a mortality rate of about 15 percent. Toxic inhaled concentrations in humans have been reported at 147 mg/m3/35 minutes and at 1800 mg/m3/2 years.

Fire Hazard

Cadmium stearate emits acrid smoke when heated to decomposition.

Safety Profile

Confirmed human carcinogen. Poison by inhalation. Moderately toxic by ingestion. Human systemic effects by inhalation: hallucinations or dstorted perceptions; nausea or vomiting, other gastrointestinal effects; weight loss or decreased weight gain; cardiac effects. When heated to decomposition it emits toxic fumes of Cd. See also CADMIUM COMPOUNDS.

Potential Exposure

Used as a lubricant and stabilizer in polyvinyl chloride plastics

Shipping

UN2570 Cadmium compounds, Hazard Class: 6.1; Labels: 6.1-Poisonous materials, Technical Name Required.

Incompatibilities

Cadmium stearate has weak oxidizing or reducing powers. Redox reactions can however still occur

Check Digit Verification of cas no

The CAS Registry Mumber 2223-93-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,2,2 and 3 respectively; the second part has 2 digits, 9 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 2223-93:
(6*2)+(5*2)+(4*2)+(3*3)+(2*9)+(1*3)=60
60 % 10 = 0
So 2223-93-0 is a valid CAS Registry Number.
InChI:InChI=1/2C18H36O2.Cd/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2

2223-93-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name Cadmium stearate

1.2 Other means of identification

Product number -
Other names propionic acid,cadmium propionate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:2223-93-0 SDS

2223-93-0Synthetic route

stearic acid
57-11-4

stearic acid

cadmium(II) oxide

cadmium(II) oxide

cadmium(II) stearate
2223-93-0

cadmium(II) stearate

Conditions
ConditionsYield
In solid byproducts: H2O; High Pressure; synthesized by intense high-pressure shear treatment (Usp. Khim., 2001, vol. 70, no. 1, pp. 72-87);98%
at 200℃; Inert atmosphere;
dimethylcadmium
506-82-1

dimethylcadmium

stearic acid
57-11-4

stearic acid

cadmium(II) stearate
2223-93-0

cadmium(II) stearate

Conditions
ConditionsYield
In benzene96.3%
cadmium(II) acetate
543-90-8

cadmium(II) acetate

stearic acid
57-11-4

stearic acid

cadmium(II) stearate
2223-93-0

cadmium(II) stearate

Conditions
ConditionsYield
In neat (no solvent) byproducts: CH3COOH; stoich. mixt. stirred at 180°C (thermotstated oil reactor) for 3 h; CH3COOH stripped by N2 stream, collected in condensor;89%
stearic acid
57-11-4

stearic acid

cadmium
7440-43-9

cadmium

cadmium(II) stearate
2223-93-0

cadmium(II) stearate

Conditions
ConditionsYield
In benzene
stearic acid
57-11-4

stearic acid

cadmium(II) chloride
10108-64-2

cadmium(II) chloride

cadmium(II) stearate
2223-93-0

cadmium(II) stearate

Conditions
ConditionsYield
With potassium hydrogencarbonate In water; benzene stearic acid dissolved in benzene to 1.0E-4 mol/L; monolayers spread onto aq. CdCl2 and KHCO3 (pH 6.8); monolayers deposited by Langmuir-Blodgett method on Ta2O5/Ta substrates at 15 °C with 25 mN/m pres.;
With sodium hydrogencarbonate In water; benzene spreading of benzene soln. of stearic acid on buffered aq. CdCl2 soln. at pH=6.6;
In water; benzene Langmuir film formation; spreading of stearic acid soln. (benzene) on surface of aq. CdCl2 (pH 6.2, 10 min);
cadmium(II) chloride monohydrate

cadmium(II) chloride monohydrate

stearic acid
57-11-4

stearic acid

cadmium(II) stearate
2223-93-0

cadmium(II) stearate

Conditions
ConditionsYield
In chloroform; water Langmuir-Blodgett film prepared; CdCl2*H2O dissolved in water; stearic acid dissolved in chloroform; LB films deposited at monolayer pressure of30 mN/m at 19°C with 3 mm/min dipping speed;
In water at 70℃;
cadmium(II) hydroxide

cadmium(II) hydroxide

stearic acid
57-11-4

stearic acid

cadmium(II) stearate
2223-93-0

cadmium(II) stearate

Conditions
ConditionsYield
In neat (no solvent) Cd(OH)2 reacted with molten acid; repptd. from toluene; TGA, FTIR;
sodium stearate
822-16-2

sodium stearate

cadmium(II) acetate
543-90-8

cadmium(II) acetate

cadmium(II) stearate
2223-93-0

cadmium(II) stearate

Conditions
ConditionsYield
In water Cd-acetate soln. added to aq. soln. of sodium stearate at 90°C; washed with hot water, dried;
In water soln. of Cd salt added to soln. of Na salt at 363 K;
sodium stearate
822-16-2

sodium stearate

cadmium(II)

cadmium(II)

cadmium(II) stearate
2223-93-0

cadmium(II) stearate

Conditions
ConditionsYield
In water heating equimolar amounts of aq. suspn. of sodium salt of the fatty acid and an aq. soln. of metal salt; filtn., washing thoroughly, drying in vacuo at 50°C;
cadmium(II) acetate dihydrate
5743-04-4

cadmium(II) acetate dihydrate

stearic acid
57-11-4

stearic acid

cadmium(II) stearate
2223-93-0

cadmium(II) stearate

Conditions
ConditionsYield
With tetramethyl ammoniumhydroxide In methanol for 0.333333h;
With tetramethyl ammoniumhydroxide In methanol for 0.333333h;
selenium
7782-49-2

selenium

diethylzinc
557-20-0

diethylzinc

cadmium(II) stearate
2223-93-0

cadmium(II) stearate

cadmium(II) selenide

cadmium(II) selenide

Conditions
ConditionsYield
In further solvent(s) air-free conditions; Cd salt, stearic acid, trioctylphosphine oxide, andoctadecylamine mixed, heated to 310-330°C, a Se soln. in triocty lphosphine (TOP) added, heated to 270-300°C for 5-10 min, allowedto cool to room temp.; obtained as nanocrystals;
hydrogen sulfide
7783-06-4

hydrogen sulfide

cadmium(II) stearate
2223-93-0

cadmium(II) stearate

cadmium(II) sulphide

cadmium(II) sulphide

Conditions
ConditionsYield
In solid matrix reaction of Cd alkanoate matrices with dry H2S, extn. in DMSO (with HSCH2CH(OH)CH2OH as a stabilizer); followed by IR and UV VIS spectroscopy;
In solid matrix reaction of Cd alkanoate matrices with H2S; not isolated, followed by photoluminescence spectroscopy;
cadmium(II) stearate
2223-93-0

cadmium(II) stearate

cadmium(II) oxide

cadmium(II) oxide

Conditions
ConditionsYield
With oxygen In neat (no solvent) byproducts: CO2, H2O; (air); 500°C; 5 min;
tri-n-butylphosphine selenide
39181-26-5

tri-n-butylphosphine selenide

cadmium(II) stearate
2223-93-0

cadmium(II) stearate

cadmium(II) selenide

cadmium(II) selenide

Conditions
ConditionsYield
With Bi nanoparticles In further solvent(s) Cd salt and n-Bu3PSe in trioctyl phosphine oxide heated at 240-300°C in presence of Bi nanoparticles; CdSe nanowires obtained;
selenium
7782-49-2

selenium

cadmium(II) stearate
2223-93-0

cadmium(II) stearate

cadmium(II) selenide

cadmium(II) selenide

Conditions
ConditionsYield
under Ar, Schlenk techniques; mixt. of Cd-stearate and TOPO heated to 240°C for 2 h, hot selenium stock soln. (Se in TPP) qickly injected, heated to 220°C for 90 min; quenched in cold toluene;
With tetralin In toluene High Pressure; Cd(C17H35COO)2, tetralin, TOPO and Se powder reacted in toluene at 250°C for 5 h; 2-propanol added; redissolved in toluene; 2-propanol added;
With tetralin; 1-dodecylthiol In toluene High Pressure; heated at 250°C for 5 h; pptd. (2-propanol), , recrystd. (toluene, 2-propanol);
trioctylphosphane selenide
20612-73-1

trioctylphosphane selenide

cadmium(II) stearate
2223-93-0

cadmium(II) stearate

cadmium(II) selenide

cadmium(II) selenide

Conditions
ConditionsYield
With Bi nanoparticles In further solvent(s) Cd salt and (n-octyl)3PSe in trioctyl phosphine oxide heated at 240-300°C in presence of Bi nanoparticles;
sodium sulfide

sodium sulfide

cadmium(II) stearate
2223-93-0

cadmium(II) stearate

cadmium(II) sulphide

cadmium(II) sulphide

Conditions
ConditionsYield
With n-octylamine In water; toluene toluene soln. of Cd-compound added to aq. soln. of Na2S; toluene layer replaced by fresh toluene;
selenium
7782-49-2

selenium

diethylzinc
557-20-0

diethylzinc

cadmium(II) stearate
2223-93-0

cadmium(II) stearate

cadmium zinc selenide

cadmium zinc selenide

Conditions
ConditionsYield
In further solvent(s) air-free conditions; Cd salt, stearic acid, trioctylphosphine oxide, andoctadecylamine mixed, heated to 310-330°C, a Se soln. in triocty lphosphine (TOP) added, heated to 270-300°C for 5-10 min, allowedto cool to room temp.; reheated to 290-320°C, ZnEt2 soln. in TOP and Se soln. in TOP added alternatively at time intervals of 20 s, heated; obtained as nanocrystals;
tellurium

tellurium

cadmium(II) stearate
2223-93-0

cadmium(II) stearate

cadmium telluride

cadmium telluride

Conditions
ConditionsYield
With tri-n-octylphosphine oxide In further solvent(s) Schlenk conditions, molar ratio Cd:Te=1.2:1; cadmium stearate heated with tri-n-octylphosphine oxide under vac. at 55°C for 2 h, Te powder and tri-n-octylphosphine added, heated slowly to 220°C, allowedto grow for 24 h at that temp.;
selenium
7782-49-2

selenium

diethylzinc
557-20-0

diethylzinc

cadmium(II) stearate
2223-93-0

cadmium(II) stearate

Zn0.67Cd0.33Se

Zn0.67Cd0.33Se

Conditions
ConditionsYield
In further solvent(s) air-free conditions; Cd salt, stearic acid, trioctylphosphine oxide, andoctadecylamine mixed, heated to 310-330°C, a Se soln. in triocty lphosphine (TOP) added, heated to 270-300°C for 5-10 min, allowedto cool to room temp.; reheated to 290-320°C, ZnEt2 soln. in TOP and Se soln. in TOP added alternatively at time intervals of 20 s, heated; obtained as nanocrystals;
selenium
7782-49-2

selenium

diethylzinc
557-20-0

diethylzinc

cadmium(II) stearate
2223-93-0

cadmium(II) stearate

Zn0.28Cd0.72Se

Zn0.28Cd0.72Se

Conditions
ConditionsYield
In further solvent(s) air-free conditions; Cd salt, stearic acid, trioctylphosphine oxide, andoctadecylamine mixed, heated to 310-330°C, a Se soln. in triocty lphosphine (TOP) added, heated to 270-300°C for 5-10 min, allowedto cool to room temp.; reheated to 290-320°C, ZnEt2 soln. in TOP and Se soln. in TOP added alternatively at time intervals of 20 s, heated; obtained as nanocrystals;
selenium
7782-49-2

selenium

diethylzinc
557-20-0

diethylzinc

cadmium(II) stearate
2223-93-0

cadmium(II) stearate

Zn0.55Cd0.45Se

Zn0.55Cd0.45Se

Conditions
ConditionsYield
In further solvent(s) air-free conditions; Cd salt, stearic acid, trioctylphosphine oxide, andoctadecylamine mixed, heated to 310-330°C, a Se soln. in triocty lphosphine (TOP) added, heated to 270-300°C for 5-10 min, allowedto cool to room temp.; reheated to 290-320°C, ZnEt2 soln. in TOP and Se soln. in TOP added alternatively at time intervals of 20 s, heated; obtained as nanocrystals;
selenium
7782-49-2

selenium

diethylzinc
557-20-0

diethylzinc

cadmium(II) stearate
2223-93-0

cadmium(II) stearate

Zn0.44Cd0.56Se

Zn0.44Cd0.56Se

Conditions
ConditionsYield
In further solvent(s) air-free conditions; Cd salt, stearic acid, trioctylphosphine oxide, andoctadecylamine mixed, heated to 310-330°C, a Se soln. in triocty lphosphine (TOP) added, heated to 270-300°C for 5-10 min, allowedto cool to room temp.; reheated to 290-320°C, ZnEt2 soln. in TOP and Se soln. in TOP added alternatively at time intervals of 20 s, heated; obtained as nanocrystals;
tellurium

tellurium

cadmium(II) stearate
2223-93-0

cadmium(II) stearate

cadmium telluride

cadmium telluride

Conditions
ConditionsYield
With P((CH2)7CH3)3; hexadecylamine In decane other Radiation; heating tellurium with phosphine deriv. at 100°C for 24 h, mixingin 1:1 molar ratio with sonicated suspn. of cadmium compd. in decane an d hexadecylamine, microwave heating; different temp., heating times and microvawe power were used; cooling to room temp., addn. of toluene, addn. of methanol and butanol mixt., centrifugation, decantation, repeating toluene/methanol process two more times;
selenourea
630-10-4

selenourea

cadmium(II) stearate
2223-93-0

cadmium(II) stearate

cadmium selenide

cadmium selenide

Conditions
ConditionsYield
In further solvent(s) other Radiation; microvawe heating mixt. of cadmium compd. and selenourea in alkane; cooling to room temp., addn. of toluene, addn. of methanol and butanol mixt., centrifugation, decantation, repeating toluene/methanol process two more times, XRD;
selenium
7782-49-2

selenium

cadmium(II) stearate
2223-93-0

cadmium(II) stearate

cadmium selenide

cadmium selenide

Conditions
ConditionsYield
With P((CH2)7CH3)3; hexadecylamine In pentane other Radiation; mixing sonicated suspn. of cadmium compd. in pentane, soln. of 5 equiv. of selenium in phosphine deriv. and hexadecylamine, microwave heating; different temp., heating time and microvawe power were used; cooling to room temp., addn. of toluene, addn. of methanol and butanol mixt., centrifugation, decantation, repeating toluene/methanol process two more times, XRD;
With P((CH2)7CH3)3; hexadecylamine In n-heptane other Radiation; mixing sonicated suspn. of cadmium compd. in hentane, soln. of 5 equiv. of selenium in phosphine deriv. and hexadecylamine, microwave heating; different temp., heating time and microvawe power were used; cooling to room temp., addn. of toluene, addn. of methanol and butanol mixt., centrifugation, decantation, repeating toluene/methanol process two more times, XRD;
With P((CH2)7CH3)3; hexadecylamine In octane other Radiation; mixing sonicated suspn. of cadmium compd. in octane, soln. of 5 equiv. of selenium in phosphine deriv. and hexadecylamine, microwave heating; different temp., heating time and microvawe power were used; cooling to room temp., addn. of toluene, addn. of methanol and butanol mixt., centrifugation, decantation, repeating toluene/methanol process two more times, XRD;
With P((CH2)7CH3)3; hexadecylamine In decane other Radiation; mixing sonicated suspn. of cadmium compd. in decane, soln. of 5 equiv. of selenium in phosphine deriv. and hexadecylamine, microwave heating; different temp., heating time and microvawe power were used; cooling to room temp., addn. of toluene, addn. of methanol and butanol mixt., centrifugation, decantation, repeating toluene/methanol process two more times, XRD;
With n-Octylamine In further solvent(s) other Radiation; mixing soln. of cadmium compd. and octylamine in aliphatic solvent with soln. of selenium in phosphine deriv., microwave heating at 190°Cfor 40 min at 300 W; cooling to room temp., addn. of toluene, addn. of methanol and butanol mixt., centrifugation, decantation, repeating toluene/methanol process two more times, XRD;
cadmium(II) stearate
2223-93-0

cadmium(II) stearate

sulfur
7704-34-9

sulfur

cadmium(II) sulphide

cadmium(II) sulphide

Conditions
ConditionsYield
With stearic acid In further solvent(s) Kinetics; mixing cadmium compd., 1-octadecene, stearic acid, heating (240-300°C) under argon, addn. of mixture of S and octadecene; Yu, W. W.; Peng, X. Angew. Chemie, Int. Ed. 2002, 41,2368-2371; UV;
selenium
7782-49-2

selenium

cadmium(II) stearate
2223-93-0

cadmium(II) stearate

CdSe

CdSe

Conditions
ConditionsYield
at 240 - 260℃; Inert atmosphere;

2223-93-0Downstream Products

2223-93-0Relevant articles and documents

Thermal Behavior of Langmuir-Blodgett Films. 1. Electron Diffraction Studies on Monolayers of Cadmium Stearate, Arachidate, and Behenate

Riegler, Johann E.

, p. 6475 - 6480 (1989)

Electron diffraction patterns of monolayers of several cadmium fatty acid salts were studied as a function of the sample temperature.A sharp decrease of the diffraction peak intensities at temperatures well below the main melting temperature of the headgroup lattice indicates a pretransitional disordering.It depends on the chain length and starts at ca. 35 deg C for cadmium stearate, at ca. 55 deg C for cadmium arachidate, and at ca. 75 deg C for cadmium behenate.The hexagonal geometry of the diffraction patterns does not change with temperature, and the radial and angular full width at half-maximum increase only slightly compared to the pronounced decrease of the intensity.This indicates that the overall bond orientational and traslational order of the molecules is preserved and that the intesity decrease is caused by thermally induced random tilt orientational disorder or bending of the chains.

A solvothermal route to capped CdSe nanoparticles

Gautam,Rajamathi,Meldrum,Morgan,Seshadri

, p. 629 - 630 (2001)

We present a convenient and safe one-pot route to capped 3 nm CdSe nanoparticles making use of common starting materials and inexpensive, low-boiling solvents under solvothermal conditions; H2Se required for the reaction is generated in situ through the aromatization of tetralin by Se.

A strategy for the synthesis of nanocrystal films of metal chalcogenides and oxides by employing the liquid-liquid interface

Gautam, Ujjal K.,Ghosh, Moumita,Rao

, p. 1 - 6 (2003)

The interface between water and an organic liquid has been exploited to prepare nanocrystals of CdS. The technique involves introducing an appropriate precursor of cadmium in the organic layer and the sulfiding reagent in the aqueous layer. The size distribution of the nanocrystals formed at the interface can be controlled by varying parameters such as the reactant concentration, temperature, viscosity of the medium, reaction time and the choice of the reagents. The CdS nanocrystals have been characterized by TEM, electronic absorption and emission spectroscopy. Nanocrystaline γ-Fe 2O3 and ZnO can be prepared by taking cupferron complex of the metals in the organic layer and NaOH in the aqueous layer.

Electron transmission through molecular layers

Naaman,Haran,Nitzan,Evans,Galperin

, p. 3658 - 3668 (1998)

This article discusses general issues associated with electron transmission through thin molecular films. On the experimental side, we emphasize recent investigations of photoemission through organized organic films adsorbed on metal surfaces. Theoretical and numerical approaches to transmission and tunneling through such films are discussed. We focus on the relation between the structure of the film and its transmission properties. In the experimental work, these are controlled by varying the organic layer, by changing its thickness and by inducing disorder via thermal heating and by depositing mixtures of two molecular types. In numerical simulations of simple model systems, we consider the dimensionality of the process, effect of molecular ordering, and relation between electronic band structure in the film and its transmission properties. It is shown that electron transmission through thin molecular layers constitutes a sensitive tool for investigating molecular film properties in addition to providing a convenient prototype system for the study of electron transport in molecular electronic devices.

Molecular-orientation change in Langmuir films of stearic acid and cadmium stearate upon surface compression, as studied by infrared external-reflection spectroscopy

Sakai, Hiroshi,Umemura, Junzo

, p. 1027 - 1032 (1997)

For interpretating the various phases appearing in a two-dimensional system, we have recorded in situ polarized FT-IR external reflection spectra of Langmuir films of stearic acid and cadmium stearate on the water surface at various surface areas, and evaluated the molecular orientation angles quantitatively. In the stearic acid monolayer, the orientation angle of the hydrocarbon chain from the surface normal decreased from 20° to almost 0° upon monolayer compression. In the cadmium stearate monolayer, on the other hand, the orientation angle (near 0°) did not change upon monolayer compression, though it was widely scattered at large surface areas, because of the formation of a rigid crystalline island. These results correspond well to the π-A isotherms.

Symmetry-Breaking for Formation of Rectangular CdSe Two-Dimensional Nanocrystals in Zinc-Blende Structure

Chen, Yiya,Chen, Dongdong,Li, Zheng,Peng, Xiaogang

, p. 10009 - 10019 (2017)

Formation of CdSe nanocrystals with two-dimensional quantum confinement (CdSe 2D nanocrystals) was studied with preformed CdSe nanocrystals in the size range between 1.7 and 2.2 nm as seeds. Specifically, the 2D CdSe nanocrystals were encased with six {100} facets of the zinc-blende (face-center-cubic) structure, that is, 1.5 nm in thickness with quite large atomically flat {100} basal planes (~8 nm width and X ≈ 45 nm length). Symmetry breaking between the thickness and lateral directions occurred in the early stage by rapid formation of single-dot intermediates with flat yet polar {100} basal planes and the desired thickness from the seeds through intraparticle ripening. Two single-dot intermediates fused together through their reactive side facets - mostly the nonpolar {110} ones - to form 2D embryos with the same thickness. Such oriented attachment continued selectively onto the reactive side facets of the 2D embryos. Simultaneously, intraparticle ripening occurred slowly on the side facets of the 2D nanocrystals, which converted unstable side facets gradually to four stable {100} ones. When ~3 stable {100} side facets were developed, oriented attachment would continue on the remaining active one, which would result in the second symmetry breaking between two lateral directions. Cadmium acetate assisted both formation of single-dot intermediates and oriented attachment. Cadmium alkanoates with a long hydrocarbon chain selectively stabilized polar {100} facets on the nanocrystals including single-dot intermediates and shuttled insoluble acetate to the reactive surface of the nanocrystals.

A solvothermal route to CdS nanocrystals

Gautam, Ujjal K.,Seshadri, Ram,Rao

, p. 560 - 564 (2003)

A novel solvothermal route for the preparation of organic soluble CdS nanocrystals, involving the reaction of cadmium stearate with sulfur in the presence of tetralin has been described. Tetralin in the presence of S gives H2S, getting aromatized to naphthalene. By using trioctylphosphineoxide as the capping agent, nanocrystals of 4 nm are obtained. Use of dodecanethiol cap results in 5 nm as well as 10 nm nanocrystals which can be separated readily. The nanocrystals have the cubic zinc blende structure and exhibit blue shifts of the absorption maximum.

Characterisation of metal carboxylates by Raman and infrared spectroscopy in works of art

Otero, Vanessa,Sanches, Diogo,Montagner, Cristina,Vilarigues, Mrcia,Carlyle, Leslie,Lopes, Joo A.,Melo, Maria J.

, p. 1197 - 1206 (2015/02/19)

This work introduces the complementary use of μ-Raman and μ-Fourier transform infrared (IR) spectroscopy for the detection of specific carbon chains and cations for the identification of metal carboxylates within oil paint microsamples. Metal carboxylates (metal soaps) form naturally when free fatty acids react with metal cations and may also be found as additives or degradation products. Twenty-two metal carboxylates were synthesised, and their spectra assembled in a reference database. Metal salts of cations commonly present in oil paintings were used, including lead, zinc, calcium, cadmium, copper and manganese. The fatty acids selected were the saturated acids palmitic (C1 6:0) and stearic (C18:0) and the polyunsaturated oleic acid (C1 8:1). Azelaic acid (C9 diacid), a product resulting from autoxidation of polyunsaturated acids, was also included. Metal carboxylates were characterised by Raman and IR spectroscopy, and their structures were confirmed by X-ray diffraction. Raman and IR spectroscopy proved to be complementary techniques for a full identification of the metal carboxylates in complex aged paint. Raman enables the differentiation of the carbon chain length in the C-C stretching region (1120-1040 cm-1), and IR distinguishes the metal cation in the COO- stretching absorption region (1650-1380cm-1). Principal component analysis was applied to the spectra in order to facilitate a fast and accurate method to discriminate between the different metal carboxylates and to aide in their identification. Finally, spectra from case studies were successfully projected in the principal component analysis models built, enabling a higher confidence level for the identification of copper palmitate and copper azelate in two 19th-century Portuguese oil paintings.

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