Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Testing was conducted between 19 February 2010 and 14 April 2010.
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2010
Report date:
2010

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Reference substance name:
Paraffin waxes and Hydrocarbon waxes, chloro, sulfochlorinated
EC Number:
269-145-7
EC Name:
Paraffin waxes and Hydrocarbon waxes, chloro, sulfochlorinated
Cas Number:
68188-19-2
Molecular formula:
CnHxCly(SO2Cl)z n= 14 - 17 or n=17 - 30 ; x=2n+2-y-z
IUPAC Name:
Paraffin waxes and Hydrocarbon waxes, chloro, sulfochlorinated
Constituent 2
Reference substance name:
SULFOCLOR LF 1013
IUPAC Name:
SULFOCLOR LF 1013
Details on test material:
Sponsor's identification: SULFOCLOR LF 1013
CAS No : 68188-19-2
Description : pale yellow slightly viscous liquid
Purity : >99%
Batch number : not supplied
Label : Sulfoclor LF 1013 TANQUE 25.09.2009
Date received : 05 February 2010
Expiry date : 23 September 2010
Storage conditions: room temperature in the dark

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
>= 5.91
Temp.:
20.5 °C
pH:
>= 4.5 - <= 5.2
Details on results:
See below section for full transcription of the results:

Any other information on results incl. tables

Preliminary Estimate

      

Approximate solubility in n-octanol: > 55.1% w/w
Approximate solubility in water: <1.04 x 10-3% w/w
Approximate Pow: > 5.30 x 104
Log10Pow:>4.72

          

Definitive Test

The mean peak areas obtained for the standard, stock and sample solutions are shown in the following tables:

Organic Phase

Solution

Area

Standard 15.1 mg/l

1.059 x 107

Standard 15.4 mg/l

1.064 x 107

Organic phase matrix blank

none detected

Sample 1

9.063 x 106

Sample 2

9.391 x 106

Sample 3

8.637 x 106

Sample 4

9.058 x 106

Sample 5

8.370 x 106

Sample 6

8.279 x 106

Sample 7

8.622 x 106

Sample 8

8.916 x 106

Sample 9

8.587 x 106

Stock solution A

9.692 x 106

Stock solution B

9.738 x 106

Aqueous Phase

Solution

Area

Standard 0.502 mg/l

1.840 x 106

Standard 0.513 mg/l

1.814 x 106

Aqueous phase standard blank

none detected

Aqueous phase sample blank

4.804 x 105

Sample 1

6.463 x 105

Sample 2

5.485 x 105

Aqueous Phase - Continued

Solution

Area

Sample 3

5.345 x 105

Sample 4

7.515 x 105

Sample 5

1.017 x 106

Sample 6

1.482 x 106

Sample 7

1.230 x 106

Sample 8

9.772 x 105

Sample 9

1.218 x 106

The total weights (mg) and analysed concentration (mg/l) of the respective phases are shown in the following table:

Sample Number

Total Weight (mg)*

Organic Phase

Aqueous Phase

Analysed Concentration (mg/l)

Weight (mg)†

Analysed Concentration (mg/l)

Weight (mg)†

pH

1

153

2.60 x 103

143

6.8 x 10-3

1.9 x 10-3

5.0

2

167

2.70 x 103

162

2.8 x 10-3

8.4 x 10-4

4.6

3

167

2.48 x 103

149

2.3 x 10-3

6.8 x 10-4

4.5

4

78.0

2.60 x 103

72.8

1.1 x 10-2

3.1 x 10-3

4.6

5

78.0

2.40 x 103

67.2

2.2 x 10-2

6.2 x 10-3

4.6

6

83.6

2.38 x 103

71.3

4.1 x 10-2

1.2 x 10-2

4.5

7

41.8

2.47 x 103

37.1

3.1 x 10-2

9.3 x 10-3

4.9

8

41.8

2.56 x 103

38.4

2.0 x 10-2

6.1 x 10-3

5.2

9

53.0

2.46 x 103

46.8

3.0 x 10-2

1.2 x 10-2

5.2

pH of n-octanol saturated water:  5.0
Temperature:                             20.5 ± 0.5°C


The partition coefficient determined for each sample is shown in the following table:

Sample Number

Organic/Aqueous Volume Ratio

Partition Coefficient

Log10Pow

Mean Partition Coefficient

1

1:5

3.81 x 105

5.58

8.12 x 105

2

9.62 x 105

5.98

3

1.10 x 106

6.04

4

1:10

2.33 x 105

5.37

1.33 x 105

5

1.09 x 105

5.04

6

5.77 x 104

4.76

7

1:20

8.02 x 104

4.90

9.55 x 104

8

1.25 x 105

5.10

9

8.12 x 104

4.91
Overall Pow :≥8.12 x 105   log10Pow:≥5.91

*From analysis of the stock solution

†From analysis of the respective phase

Applicant's summary and conclusion

Conclusions:
The partition coefficient of Sulfoclor LF 1013 has been determined to begreater than or equal to 8.12 x 105at 20.5 ± 0.5°C, log10Pow≥5.91. 
Executive summary:

Partition Coefficient. 

Greater than or equal to8.12 x 105at 20.5 ± 0.5°C, log10Pow≥5.91, using the shake-flask method, designed to be compatible with Method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008.