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The following chemical compounds should be consider in accordance with Annex XI as a group of substances:

-                    sodium O-ethyl dithiocarbonate; CAS # 140-90-9 ; EC# 213-180-2

-                    potassium O-ethyl dithiocarbonate; CAS # 140-89-6 ; EC# 235-857-2

-                    sodium O-isopropyl dithiocarbonate (Proxan sodium) ; CAS # 140-93-2 ; EC# 246-805-2

-                    potassium O-isopropyl dithiocarbonate; CAS # 140-92-1 ; EC# 205-441-4

-                    sodium O-isobutyl dithiocarbonate; CAS # 25306-75-6 ; EC# 205-443-5

-                    potassium O-isobutyl dithiocarbonate; CAS # 13001-46-2 ;

-                    EC# 205-449-3

-                    sodium O-isopentyl dithiocarbonate; CAS # 2540-36-5

-                    potassium O-isopenthyl dithiocarbonate; CAS # 928-70-1 ;

-                     EC# 205-440-9

The group of the compounds is called xanthates, derived from the xanthogen radical: C2H5OCSS- . They are products of a reaction between carbon disulfide, relevant alcohol and sodium or potassium hydroxide.

Each of the substance:

-                    contain common functional group – dithiocarbonate (-OCSS-),

-                    decomposes via physical and biological processes to common products: carbon disulfide, an alcohol and alkali hydroxide,

-                    is characterized by a constant pattern in the changing of the properties across the category.

Sodium O-ethyl dithiocarbonate (sodium ethyl xanthate) is consider as main substance of the xanthate group since it is produced/imported in EU in bigger quantity.

The second substance that should be taken in to account in the RAPORT is carbon disulfide (CAS number 75-15-0). The substance is one of the raw materials used in manufacture of xanthates, it is a decomposition product of each xanthate during storage and use and a metabolite from xanthate biotransformation in animals and humans. Carbon disulfide is a dangerous fire and explosion hazard, toxic by inhalation, danger of serious damage to health.

Name and other identification of the xanthate group substances

 

Sodium ethyl xanthate

Potassium ethyl xanthate

Sodium isopropyl xanthate

Potassium isopropyl xanthate

Sodium isobutyl xanthate

Potassium isobutyl xanthate

Sodium isoamyl xanthate

Potassium isoamyl xanthate

 

2.1.1. Name in

IUPAC nomenclature

Sodium O-ethyl

carbonodithioate

Potassium

O-ethyl

carbonodithioate

Sodium

O-isopropyl

carbonodithioate

Potassium

O-isopropyl

carbonodithioate

Sodium

O-isobutyl

carbonodithioate

Potassium

O-isobutyl

carbonodithioate

Sodium O-isoamyl carbonodithioate

Potassium isoamyl carbonodithioate

 

2.1.2.

Other names( usual name, trade name, abrevation)

Sodium ethyl xanthate,

SEX, NaEX

Potassium ethyl xanthate,

PEX, KEX

Sodium isopropyl xanthate,

Proxan-sodium

Potassium isopropyl xanthate,

Proxan-potassium

Sodiumisobutylxanthate

Potassium isobutyl xanthate

Sodium isoamyl xanthate

Potassium isoamyl xanthate

 

2.1.3.

EINEC number

 

EC name

205-440-9

205-439-3

205-443-5

205-441-4

246-805-2

235-837-2

 

213-180-2

 

Sodium O-ethyl dithiocarbonate

Potassium

O-ethyl

dithiocarbonate

Sodium

O-isopropyl dithiocarbonate

Potassium

O-isopropyl dithiocarbonate

Sodium

O-isobutyl dithiocarbonate

Potassium

O-isobutyl dithiocarbonate

Sodium

O-isopentyl dithiocarbonate

Potassium

O-isopentyl dithiocarbonate

 

2.1.4.

CAS number and

CAS name

140-90-9

140-89-6

140-93-2

140-92-1

25306-75-6

13001-46-2

2540-36-5

928-70-1

 

Carbonodithioic acid, O-ethyl ester sodium salt

Carbonodithioic acid, O-ethyl ester potassium salt

Carbonodithioic acid, O-(1-methylethyl) ester sodium salt

Carbonodithioic acid, O-(1-methylethyl) ester potassium salt

Carbonodithioic acid, O-(2-methylpropyl) ester sodium salt

Carbonodithioic acid, O-(2-methylpropyl) ester potassium salt

Carbonodithioic acid, O-(3-methylbutyl) ester sodium salt

Carbonodithioic acid, O-(3-methylbutyl) ester potassium salt

 

                                                                   2.2. Information related to molecular and structural formula of each substance

 

 

2.2.1.

Molecular formula

 

Structural formula

 

SMILES

C2H5OS2Na

 

C2H5OS2K

C3H7OS2Na

C3H7OS2K

C5H9OS2Na

C5H9OS2K

C6H11OS2Na

C6H11OS2K

 

CH3-CH2-O-C(=S)-S-Na

CH3-CH2-O-C(=S)-S-K

(CH3)2CH-O-C(=S)-S-Na

(CH3)2-CH-O-C(=S)-S-Na

CH3)2-CH-O-C(=S)-S-Na

CH3)2-CH-CH2-O-C(=S)-S-K

(CH3)2-CH-CH2-CH2-O-C(=S)-S Na

CH3)2-CH-CH2-CH2-O-C(=S)-S K

 

CCOC(S=)[S-].[Na+]

CCOC(S=)[S-].[K+]

CC(C)OC(S=)[S-].[Na+]

CC(C)OC

(S=)[S-].[K+]

CC(C)OCC(S=)[S-].[Na+]

[K+].CC(C)OCC

(S=)[S-]

[K+].SC(=S)OCCC(C)C

 

SC(=S)OCCC

(C)C.[Na+]

 

 

2.2.2 information on optical activity

 

 

 

 

 

 

 

 

 

 

2.2.3.

Molecular weight

144.19

 

159.98

158.22

174.32

172.24

188.03

186.27

202.38

 

Property

Sodium ethyl xanthate

Potassium ethyl xanthate

Sodium isopropyl xanthate

Potassium isopropyl xanthate

Sodium isobutyl xanthate

Potassium isobutyl xanthate

Sodium isoamyl xanthate

Potassium isoamyl xanthate

 

CAS#

140-90-9

140-89-6

140-93-2

140-92-1

25306-75-6

13001-46-2

2540-36-5

928-70-1

 

EC number

205-440-9

205-439-3

205-443-5

205-441-4

246-805-2

235-837-2

 

235-837-2

 

213-180-2

Physical state at 200C and 101.3 kPa

Pale yellow, fine crystals

Pale yellow, fine crystals

Pale yellow, fine crystals

Pale yellow, fine crystals

Pale yellow, fine crystals

Pale yellow, fine crystals

Pale yellow, fine crystals

Pale yellow, fine crystals

 

Melting/freezing point

Solid product,

decomposes at

145.60C;

 

37% water solution

-60C

Solid product

decomposes

at 161,70C

Solid product

 Decomposes at 119.60C

Solid product

 decomposes

Solid product

decomposes at 126.70C

Solid product

decomposes

Solid product

decomposes at 144.20C

Solid product

about 2700C, decomposition

 

Boiling point

Solid product,

decomposes at

145.60C;

 

37% water solution

90.50C, under 101.3kPa

Not applicable.

Solid product

decomposes at 161.70C

Not applicable.

Solid product

decomposes at 119.60C

 

Not applicable.

Solid product

decomposes

Not applicable.

Solid product

decomposes at 126.70C

 

37.6% water solution of sodium isobutyl xanthate (CAS# 25306-75-6):

Boiling point: 96.7+/-0.30C,

Pressure: 1003 hPa, correction 0.20C to 1013 hPa

Not applicable.

Solid product

decomposes

Not applicable.

Solid product

decomposes at 144.20C

Not applicable.

Solid product

decomposes

 

Relative density

Solid product

1.263 g/cm3;

 

Water solution:

1.18 g/cm3  - 37%

at 200C

Solid product:

1.56 g/cm3

Water solutions:

1.046g/cm3- 10%

1.120g/cm3 - 25%

1.172g/cm3 - 35%

at 200C

Solid product:

1.69 g/cm3

Water solutions:

at 200C

1.040g/cm3- 10%

1.101g/cm3 - 25%

at 200C

 

 

Solid product: 1.24 g/cm3

 

water solution:

1.12 g/cm3- 36%

at 200C

 

 

 

 

Vapour pressure

Solid product:

5.95 x 10-7Pa at 250C;

estimated

 

37% water solution:

28 hPa at 200C,

39 hPa at 250C,

54 hPa at 300C.

Solid product:

3.47 × 10-7Pa

at 250C

estimated

Solid product: 

3.87 × 10-7Pa

 at 250C, estimated

 

Solid product: 

6.0 × 10-7Pa

 at 250C, estimated

 

Solid product: 1.173 × 10-7Pa

 at 250C, estimated

 

36 wt.% water solution:

 at 200C 28 hPa

at 250C 39 hPa

at 300C. 54 hPa

Solid product: 

6.0 × 10-7Pa

 at 250C, estimated

 

 

 

 

Surface tension

37% water solution

45,2 mN/m at 200C

Not applicable.

Not applicable

Not applicable

36 wt.% water solution:

45,2 mN/m 

               at 200C

 

 

 

 

 

Water solubility

40.8g/100g water at 00C

 

46.0g/100g water at 100C

 

52.0g/100g water at 200C

 

About 19.6 g/100g water at 250C

 

46g/100g water at 240C

 

 

16.6g/100g water at 00C

 

37.2g/100g water at 350C

 

44.0 g/100g water soln. at 00C

 49.0 g/100g water soln. at 100C

 51.0 g/100g water soln. at 200C

 57.3 g/100g water soln. at 350C

 

10.7 g/100g water at 00C

 48.0 g/100g water soln. at 350C

 

24.7 g/100g water soln. at 00C

 43.5 g/100g water soln. at 350C

 

35 - 45.6 g/100g water at 200C

 

Partition coefficient n-octanol/water(log)

log Pow= 2.48 +/- 0.03

Test result:

Methods: A.8, EC No.440/2008; OECD 107(Institute of Industrial Organic Chemistry, Active Ingredients Sythesis and Technology Department, GLP Compliance No 8/2011/DPL)

 

log Kow = -2.24

estimated at 250C

Method: KOWWIN program v 1.68

 

 

 

 

 

 

 

 

log Kow= -2.24

estimated at 250C

Method: KOWWIN program v 1.68

 

 

 

 

 

 

 

 

log Kow= -1.82

estimated at 250C

Method: KOWWIN program v 1.68

 

 

 

 

 

 

 

 

log KOW= -1.82

estimated at 250C

Method: KOWWIN program v 1.68

 

 

 

 

 

 

 

 

log Kow= -1.33

estimated at 250C

Method: KOWWIN program v 1.68

 

 

 

 

 

 

 

 

log Kow= -1.33

estimated at 250C

Method: KOWWIN program v 1.68

 

 

 

Flash point

On contact with moisture solid xanthates release extremely flammable carbon disulfide.

For carbon disulfide:   -300C (closed cub

On contact with moisture solid xanthates release extremely flammable carbon disulfide.

For carbon disulfide:   -300C (closed cub

On contact with moisture solid xanthates release extremely flammable carbon disulfide.

For carbon disulfide:   -300C (closed cub

On contact with moisture solid xanthates release extremely flammable carbon disulfide.

For carbon disulfide:   -300C (closed cub

On contact with moisture solid xanthates release extremely flammable carbon disulfide.

For carbon disulfide:   -300C (closed cub

On contact with moisture solid xanthates release extremely flammable carbon disulfide.

For carbon disulfide:   -300C (closed cub

On contact with moisture solid xanthates release extremely flammable carbon disulfide.

For carbon disulfide:   -300C (closed cub

On contact with moisture solid xanthates release extremely flammable carbon disulfide.

For carbon disulfide:   -300C (closed cub

 

Flammability

According to Method A.10. the tested substance (sodium ethyl xanthate CAS# 140-90-9) is to be considered as highly flammable since the time of burning in one test was 41 seconds (less than 45 seconds).

 

Sodium ethyl xanthate (CAS# 140-90-9) can’t be considered as flammable in contact with water because:

-     Spontaneous ignition does not take place in any step of the test procedures,

Evolution of flammable gas is much lower than 1 dm3/kg of the substance per hour

Xanthate solids are reactive flammable materials and xanthate dusts are combustible dusts.

For carbon disulfide – highly flammable vapour.

Xanthate solids are reactive flammable materials and xanthate dusts are combustible dusts.

For carbon disulfide – highly flammable vapour.

Xanthate solids are reactive flammable materials and xanthate dusts are combustible dusts.

For carbon disulfide – highly flammable vapour.

Xanthate solids are reactive flammable materials and xanthate dusts are combustible dusts.

 

For carbon disulfide – highly flammable vapour.

Xanthate solids are reactive flammable materials and xanthate dusts are combustible dusts.

For carbon disulfide – highly flammable vapour.

Xanthate solids are reactive flammable materials and xanthate dusts are combustible dusts.

For carbon disulfide – highly flammable vapour.

Xanthate solids are reactive flammable materials and xanthate dusts are combustible dusts.

For carbon disulfide – highly flammable vapour.

 

Explosive properties

The dry powder of xanthates can form explosive dust-air mixture

For carbon disulfide: – lower explosive limit in air 1,3 vol.%,

               upper explosive limit in air

50,0 vol.%.

The dry powder of xanthates can form explosive dust-air mixture

For carbon disulfide: – lower explosive limit in air 1,3 vol.%,

               upper explosive limit in air

50,0 vol.%.

The dry powder of xanthates can form explosive dust-air mixture

For carbon disulfide: – lower explosive limit in air 1,3 vol.%,

               upper explosive limit in air

50,0 vol.%.

The dry powder of xanthates can form explosive dust-air mixture

For carbon disulfide: – lower explosive limit in air 1,3 vol.%,

               upper explosive limit in air

50,0 vol.%.

The dry powder of xanthates can form explosive dust-air mixture

For carbon disulfide: – lower explosive limit in air 1,3 vol.%,

               upper explosive limit in air

50,0 vol.%.

The dry powder of xanthates can form explosive dust-air mixture

For carbon disulfide: – lower explosive limit in air 1,3 vol.%,

               upper explosive limit in air

50,0 vol.%.

The dry powder of xanthates can form explosive dust-air mixture

For carbon disulfide: – lower explosive limit in air 1,3 vol.%,

               upper explosive limit in air

50,0 vol.%.

The dry powder of xanthates can form explosive dust-air mixture

For carbon disulfide: – lower explosive limit in air 1,3 vol.%,

               upper explosive limit in air

50,0 vol.%.

 

Self-ignition temperature.

Approximately 2500C, for dry solid xanthates

For carbon disulfide: -1000C

Approximately 2500C, for dry solid xanthates

For carbon disulfide: -1000C

Approximately 2500C, for dry solid xanthates

For carbon disulfide: -1000C

Approximately 2500C, for dry solid xanthates

For carbon disulfide: -1000C

Approximately 2500C, for dry solid xanthates

For carbon disulfide: 1000C

Approximately 2500C, for dry solid xanthates

For carbon disulfide: -1000C

Approximately 2500C, for dry solid xanthates

For carbon disulfide: -1000C

Approximately 2500C, for dry solid xanthates

For carbon disulfide: -1000C

 

Oxidizing properties

Not relevant.

Not relevant.

Not relevant.

Not relevant.

Not relevant.

Not relevant.

Not relevant.

Not relevant.

 

Granulometry

Solid sodium ethyl xanthate:

 fine crystals:  range:

 Length: from 7.9 to 147.6 µm, mean: 41.9µm

Diameter: from 11.8 to 171.3 µm ,

 mean: 57.9 µm

Microscopic analysis

(Institute of Heavy Organic Synthesis, Analytical Department, Kędzierzyn-Koźle, Poland GLP Compliance No 4/2010/DPL)

 

Solid xanthate – pelletized:

 width: 5 to 6 mm

length: 5 to 15 mm

 

powder:  range:

 1 to 10 µm, mean: 5µm

Solid xanthate – pelletized:

 width: 5 to 6 mm

length: 5 to 15 mm

 

 powder:  range:

 1 to 10 µm, mean: 5µm

Solid xanthate – pelletized:

 width: 5 to 6 mm

length: 5 to 15 mm

 

powder:  range:

 1 to 10 µm, mean: 5µm

Solid sodium isobutyl xanthate

 Fine crystals:  range:

 Length: from 7.9 to 147.6 µm, mean: 41.9µm

Diameter: from 11.8 to 171.3 µm ,

 mean: 57.9 µm

Microscopic analysis

(Institute of Heavy Organic Synthesis, Analytical Department, Kędzierzyn-Koźle, Poland GLP Compliance No 4/2010/DPL)

Solid xanthate – pelletized:

 width: 5 to 6 mm

length: 5 to 15 mm

 

powder:  range:

 1 to 10 µm, mean: 5µm

Solid xanthate – pelletized:

 width: 5 to 6 mm

length: 5 to 15 mm

 

 powder:  range:

 1 to 10 µm, mean: 5µm

Solid xanthate – pelletized:

 width: 5 to 6 mm

length: 5 to 15 mm

 

powder:  range:

 1 to 10 µm, mean: 5µm

 

Stability in organic solvents and identity of relevant degradation products

The alkali metal xanthates are soluble in alcohols, the lower ketones, pyridine and acetonitrile, they not particularly soluble in non polar solvent, eg. ether or ligroin.

 

Ethanol reacts with sodium ethyl xanthate reacts giving diethyl thioncarbonate and sodium hydrogen sulfide:

C2H5OH  +  C2H5OC(S)SNa   =   (C2H5O)2S  +  HSNa

 

The alkali metal xanthates are soluble in alcohols, the lower ketones, pyridine and acetonitrile, they not particularly soluble in non polar solvent, eg. ether or ligroin.

 

 

The alkali metal xanthates are soluble in alcohols, the lower ketones, pyridine and acetonitrile, they not particularly soluble in non polar solvent, eg. ether or ligroin.

 

 

The alkali metal xanthates are soluble in alcohols, the lower ketones, pyridine and acetonitrile, they not particularly soluble in non polar solvent, eg. ether or ligroin.

 

 

The alkali metal xanthates are soluble in alcohols, the lower ketones, pyridine and acetonitrile, they not particularly soluble in non polar solvent, eg. ether or ligroin.

 

 

The alkali metal xanthates are soluble in alcohols, the lower ketones, pyridine and acetonitrile, they not particularly soluble in non polar solvent, eg. ether or ligroin.

 

 

The alkali metal xanthates are soluble in alcohols, the lower ketones, pyridine and acetonitrile, they not particularly soluble in non polar solvent, eg. ether or ligroin.

 

 

The alkali metal xanthates are soluble in alcohols, the lower ketones, pyridine and acetonitrile, they not particularly soluble in non polar solvent, eg. ether or ligroin.

 

 

 

Dissociation constants

pKa= 12,4

Kirk-Othmer Encyclopedia of Chemical Technology. Vol. 25. 4th ed

pKa= 8.66

http://apps.

Ideaconsult.net:

8080/ToxPredict

pKa= 11.27

http://apps.

Ideaconsult.net:

8080/ToxPredict

pKa= 4.18

http://apps.

Ideaconsult.net:

8080/ToxPredict

pKa= 4.18

http://apps.

Ideaconsult.net:

8080/ToxPredict

pKa= 11.27

http://apps.

Ideaconsult.net:

8080/ToxPredict

 

 

 

Viscosity

37% water solution

Absolute viscosity:

2.58 cP at 200C

Kinematic viscosity:

 2.21 cST at 200C

 

 

 

 

36 wt.% water solution:

- absolute viscosity:  2,58 cP    at 200C

 kinematic viscosity: 2,21 cST at 200C

 

 

 

 

 

Auto flammability

Approximately 2500C

Approximately 2500C

Approximately 2500C

Approximately 2500C

Approximately 2500C

Approximately 2500C

Approximately 2500C

Approximately 2500C

 

Reactivity towards container material

Xanthate water solutions corrode containers of aluminium or aluminium alloys and also copper and copper alloys.

(2011,CCOHS, CHEMINFO, sodium ethyl xantate)

Xanthate water solutions corrode containers of aluminium or aluminium alloys and also copper and copper alloys.

(2011,CCOHS, CHEMINFO, sodium ethyl xanthate)

Xanthate water solutions corrode containers of aluminium or aluminium alloys and also copper and copper alloys.

(2011,CCOHS, CHEMINFO, sodium ethyl xanthate)

Xanthate water solutions corrode containers of aluminium or aluminium alloys and also copper and copper alloys.

(2011,CCOHS, CHEMINFO, sodium ethyl xanthate)

Xanthate water solutions corrode containers of aluminium or aluminium alloys and also copper and copper alloys.

(2011,CCOHS, CHEMINFO, sodium ethyl xanthate)

Xanthate water solutions corrode containers of aluminium or aluminium alloys and also copper and copper alloys.

(2011,CCOHS, CHEMINFO, sodium ethyl xanthate)

 

 

Xanthate water solutions corrode containers of aluminium or aluminium alloys and also copper and copper alloys.

(2011,CCOHS, CHEMINFO, sodium ethyl xanthate)

Xanthate water solutions corrode containers of aluminium or aluminium alloys and also copper and copper alloys.

(2011,CCOHS, CHEMINFO, sodium ethyl xanthate)

 

Thermal stability: decomposition of dry solid xanthate begins at:

(Polymers Institute , Technical University of Szczecin, 2001, Poland)

 

145.60C 

 

 

161.70C  

 

119.60C

 

 

 

126,70C

 

 

144,20C