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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
OECD 107

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2016
Report date:
2016

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Trisodium 5-[[5-methyl-4-[(4-nitro-2-sulphonatophenyl)azo]-2-(3-sulphonatopropoxy)phenyl]azo]salicylate
EC Number:
277-753-9
EC Name:
Trisodium 5-[[5-methyl-4-[(4-nitro-2-sulphonatophenyl)azo]-2-(3-sulphonatopropoxy)phenyl]azo]salicylate
Cas Number:
74186-17-7
Molecular formula:
C23H21N5O12S2.3Na
IUPAC Name:
trisodium 2-hydroxy-5-({5-methyl-4-[(4-nitro-2-sulfonatophenyl)diazenyl]-2-(3-sulfonatopropoxy)phenyl}diazenyl)benzoate

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
< -4.4
Temp.:
23 °C
pH:
8.6
Remarks on result:
other: mean

Any other information on results incl. tables

Table 1: Results in detail

no.

stock solution [mL]

n-octanol [mL]

conc. in n-octanol phase [mg/L]

conc. in water phase [mg/L]

Log pow

A1 (pH 8.6)

5

10

< 0.03

735.5

< - 4.4

A2 (pH 8.4)

5

10

< 0.03

742.6

< - 4.4

B1 (pH 8.5)

10

10

< 0.03

739.4

< - 4.4

B2 (pH 8.5)

10

10

< 0.03

734.3

< - 4.4

C1 (pH 8.6)

20

10

< 0.03

726.2

< - 4.4

C2 (pH 8.7)

20

10

< 0.03

738.7

< - 4.4

mean

-

-

-

-

< - 4.4

Table 2: Recovery rate of test substance

no.

test substance in stock solution

[mg]

test substance in n-octanol phase [mg]

test substance in water phase

[mg]

sum

[mg]

recovery rate

[%]

A1

3.74

not detectable

3.68

3.68

98

A2

3.74

not detectable

3.71

3.71

99

B1

7.48

not detectable

7.39

7.39

99

B2

7.48

not detectable

7.34

7.34

98

C1

14.96

not detectable

14.52

14.52

97

C2

14.96

not detectable

14.77

14.77

99

Applicant's summary and conclusion