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Water solubility

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Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Principles of method if other than guideline:
As a summation parameter, TOC was measured rather than single PAHs.
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Specific details on test material used for the study:
- Name of test material (as cited in study report): pitch, coal tar, high temp (coal-tar pitch)
- Physical state: solid
- Stability under test conditions: WSF (water-soluble fraction): limited
- Storage condition of test material: room temperature, exclusion of light
- Treatment of test material prior to testing: the material was milled to a fine-granular powder (grain size < 180 µm)
Key result
Water solubility:
0.242 mg/L
Conc. based on:
other: dissolved organic carbon (DOC)
Loading of aqueous phase:
1 000 mg/L
Incubation duration:
>= 24 - <= 72 h
Temp.:
20 °C
pH:
6.8
Remarks on result:
other: average over 3 time intervals (24, 48, and 72 h) measured in replicate samples
Water solubility:
0.215 mg/L
Conc. based on:
other: dissolved organic carbon (DOC)
Loading of aqueous phase:
100 mg/L
Incubation duration:
72 h
Temp.:
20 °C
pH:
6.7
Remarks on result:
other: mean of two replicates

Solubility Results for Pitch, coal tar, high temp(coal-tar pitch)

(Mean values of two replicates per time interval) (data taken from Table 4 of the report, modified)

Sample

Carbon content [mg/L]

 

Dilution water1)

0.732

Mean

Mean over time (24, 48, 72 h)4)

Mean over time (48, 72 h)4)

Deviation

(48, 72 h) [%]

1000 mg/L

No. 1 (24 h)

0.320

0.2892)

0.242

No. 2 (24 h)

0.258

No. 1 (48 h)

0.988

0.2043)

0.218

14.5

No. 2 (48 h)

0.883

No. 1 (72 h)

0.930

0.2333)

No. 2 (72 h)

1.000

100 mg/L

No. 1 (72 h)

0.186

0.2152)

 

No. 2 (72 h)

0.243

1) Dilution water for samples 48 and 72 h at 1000 mg/L loading (measured 2010-11-15)

2) Mean values of replicates, dilution water carbon content not subtracted as dilution water carbon content was 0 mg/L (measured 2010-11-12)

3) Mean values of replicates, dilution water carbon content subtracted (measured 2010-11-15)

4) The time average over 24, 48, and 72 h was calculated, thus deviating from the study report, in which only the average over 48 and 72 h has been quoted.

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reason / purpose for cross-reference:
reference to same study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Principles of method if other than guideline:
The analytical exercise was part of 21-d daphnia test (long-term toxicity to aquatic invertebrates, see sect. 6.1.4). Parameters determined in test medium (HPLC) were priority PAH (16 EPA + 2).
GLP compliance:
yes (incl. QA statement)
Type of method:
column elution method
Specific details on test material used for the study:
- Name of test material (as cited in study report): coal tar pitch; pitch (coal tar); pitch, coal tar, high-temp
- Physical state: solid
- Density: 1.30 – 1.35 g/m³ (20 °) (DIN 51 757)
- Stability under test conditions: WSF (water-soluble fraction): limited
- Storage condition of test material: room temperature, exclusion of light
- Treatment of test material prior to testing: the test item was crushed with a mortar. Particles of the test item >125 µm were removed by sieving with an analytical sieve with a mesh width of 125 µm.
Key result
Water solubility:
ca. 0.8 - ca. 1.9 other: µg/L (sum of 18 PAH)
Conc. based on:
test mat. (dissolved fraction)
Loading of aqueous phase:
100 mg/L
Incubation duration:
48 h
Temp.:
21 °C
pH:
ca. 7.3 - ca. 8
Remarks on result:
other: range of five replicate samples; WAF was obtained by elution of test material from a generator column for 48 hours
Key result
Water solubility:
ca. 1.3 other: µg/L (sum of 18 PAH)
Conc. based on:
test mat. (dissolved fraction)
Loading of aqueous phase:
100 mg/L
Incubation duration:
48 h
Temp.:
21 °C
pH:
ca. 7.3 - ca. 8
Remarks on result:
other: mean value of five replicate samples; WAF was obtained by elution of test material from a generator column for 48 hours
Details on results:
The maximum dissolved concentration of the test item that could be achieved under the test conditions was analysed:
The test substance concentration of the water-soluble fractions (WSFs) was determined using the fresh test medium at the beginning of each 48h test cycle (Daphnia test).
Results (sum of 18 PAH) ranged from 0.82 - 1.90 µg/L (n=5). The overall mean was 1.33 µg/L (n=5).
NOTE: For calculation of the mean value of each time interval, the measured concentrations of < LOQ(M) were set to ½ LOQ(M) = 15 ng/L. 6 - 12 out of the 18 components (PAH) were below this LOQ on occasion of analysis (Report Tab. 10).

Table 1: Initial concentrations of PAHs in the saturated solution of pitch, coal tar, high temp. (WSF, ng/L) (taken from Report Table 10, means recalculated for the respective time intervals)

Note: Values include background values (see blanks Table 2 below)

Sampling date

2008-10-29

day 0

fresh medium

2008-10-31

day 2

fresh medium

2008-11-04

day 6

fresh medium

2008-11-14

day 16

fresh medium

2008-11-16

day 18

fresh medium

Mean1)

[ng/L]

Naphthalene

< LOQ

< LOQ

< LOQ

< LOQ

< LOQ

< LOQ

Acenaphthylene

< LOQ

< LOQ

< LOQ

< LOQ

< LOQ

< LOQ

1-Methylnaphthalene

< LOQ

< LOQ

< LOQ

< LOQ

     32.5

< LOQ

2-Methylnaphthalene

< LOQ

< LOQ

     43.1

< LOQ

     63.9

< LOQ

Acenaphthene

     30.7

< LOQ

     84.5

   54.1

 132

     63.3

Fluorene

< LOQ

< LOQ

     49.8

   91.0

     98.9

     53.9

Phenanthrene

 247

153

 296

185

 380

 252

Anthracene

     53.0

   31.1

     72.5

   40.9

     82.3

   56

Fluoranthene

 395

195

 379

176

 445

 318

Pyrene

 326

158

 297

141

 280

 240

Benz[a]anthracene

 102

   52.6

     78.8

   35.7

     90.3

     71.9

Chrysene

     95.2

   50.4

     69.8

   36.0

     91.3

     80.1

Benzo[b]fluoranthene

     44.4

< LOQ

     42.3

< LOQ

     49.5

   33.2

Benzo[k]fluoranthene

< LOQ

< LOQ

< LOQ

< LOQ

< LOQ

< LOQ

Benzo[a]pyrene

     47.0

< LOQ

     47.8

< LOQ

     52.0

35.4

Dibenz[ah]anthracene

< LOQ

< LOQ

< LOQ

< LOQ

< LOQ

< LOQ

Benzo[ghi]perylene

< LOQ

< LOQ

< LOQ

< LOQ

< LOQ

< LOQ

Indeno[1,2,3-cd]pyrene

< LOQ

< LOQ

< LOQ

< LOQ

< LOQ

< LOQ

Sum of 18 PAHs

1475

820

1566

910

1898

1330

LOQ = Limit of quantification of the analytical method (30 ng/L for each analyte)

1)  For calculation of the mean value, the measured concentrations < LOQ were set to ½ LOQ (15 ng/L).

Table 2: Concentrations of PAHs in the blank controls (taken from Report, Table 11) (WSF, ng/L)

Sampling date

2008-10-29

day 0

fresh medium

2008-10-31

day 2

fresh medium

2008-11-04

day 6

fresh medium

2008-11-14

day 16

fresh medium

2008-11-16

day 18

fresh medium

Naphthalene

< 30 % LOQ

15.1

10.6

19.4

14.6

Acenaphthylene

< 30 % LOQ

< 30 % LOQ

< 30% LOQ

< 30 % LOQ

< 30 % LOQ

1-Methylnaphthalene

< 30 % LOQ

11.3

< 30% LOQ

< 30 % LOQ

< 30 % LOQ

2-Methylnaphthalene

12.0

20.1

14.0

23.1

23.3

Acenaphthene

< 30 % LOQ

< 30 % LOQ

< 30% LOQ

< 30 % LOQ

< 30 % LOQ

Fluorene

< 30 % LOQ

< 30 % LOQ

< 30% LOQ

136

35.3

Phenanthrene

16.9

45.6

< 30% LOQ

13.4

26.4

Anthracene

< 30 % LOQ

< 30 % LOQ

< 30% LOQ

< 30 % LOQ

< 30 % LOQ

Fluoranthene

11.1

15.3

< 30% LOQ

< 30 % LOQ

< 30 % LOQ

Pyrene

< 30 % LOQ

< 30 % LOQ

< 30% LOQ

< 30 % LOQ

< 30 % LOQ

Benz(a)anthracene

< 30 % LOQ

< 30 % LOQ

< 30% LOQ

< 30 % LOQ

< 30 % LOQ

Chrysene

< 30 % LOQ

< 30 % LOQ

< 30% LOQ

< 30 % LOQ

< 30 % LOQ

Benzo(b)fluoranthene

< 30 % LOQ

< 30 % LOQ

< 30% LOQ

< 30 % LOQ

< 30 % LOQ

Benzo(k)fluoranthene

< 30 % LOQ

< 30 % LOQ

< 30% LOQ

< 30 % LOQ

< 30 % LOQ

Benzo(a)pyrene

< 30 % LOQ

< 30 % LOQ

< 30% LOQ

< 30 % LOQ

< 30 % LOQ

Dibenz(a,h)anthracene

< 30 % LOQ

< 30 % LOQ

< 30% LOQ

< 30 % LOQ

< 30 % LOQ

Benzo(ghi)perylene

< 30 % LOQ

< 30 % LOQ

< 30% LOQ

< 30 % LOQ

< 30 % LOQ

Indeno(1,2,3-cd)pyrene

< 30 % LOQ

< 30 % LOQ

< 30% LOQ

< 30 % LOQ

< 30 % LOQ

Sum of 18 PAHs [ng/L]

40.0

107

24.6

192

100

LOQ  = Limit of quantification of the analytical method (30 ng/L for each analyte), values below LOQ are given in bold italics.


Description of key information

At a loading of 1000 mg pitch/L, the mean TOC of the water-soluble fraction (WAF) was 0.242 mg/L. at 20 °C. A total of 0.8 to 1.4 µg/L was found in the WAF of a loading of 100 mg/L at 21 °C, related to the 16 EPA PAHs.

Key value for chemical safety assessment

Water solubility:
0.002 mg/L
at the temperature of:
20 °C

Additional information

The stated water solubility relates to the marker substance, benzo[a]pyrene (EU 2008, Tab. 1.6). Water solubility of pitch, coal tar, high-temp. is different and depends on the load of the solution (see aside).

Sources:

EU (2008) Coal-Tar Pitch, high temperature - Risk Assessment. European Union Risk Assessment Report, The Netherlands [URL: https://echa.europa.eu/documents/10162/433ccfe1-f9a5-4420-9dae-bb316f898fe1]

According to EU 2008, presented data from:

Mackay D, Shiu WY, Ma KC (1992). lllustrated Handbook of Physical-Chemical Properties and Environmental Fate of Organic Chemicals. Lewis Publishers, Boca Raton, FL.