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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
comparable to guideline study with acceptable restrictions
Remarks:
test procedure similar to OECD 105
Cross-reference
Reason / purpose for cross-reference:
reference to same study
Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
Remarks:
Test procedure according to method of Analytical Expert Group ETAD (Ecological and Toxicological Association of Dyes and Organic Pigment Manufacturer)
Reason / purpose for cross-reference:
reference to same study
Qualifier:
according to guideline
Guideline:
other: ETAD Analytical Expert Group
Version / remarks:
method for substances with very low solubilty in both water and n-octanol
Principles of method if other than guideline:
Determination of solubility in octanol and calculation of log Pow with water solubility
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
octanol-water
Analytical method:
photometric method
Type:
Pow
Partition coefficient:
2.6
Temp.:
23 °C
pH:
ca. 7
Type:
log Pow
Partition coefficient:
0.4
Temp.:
23 °C
pH:
ca. 7
Details on results:
Pow and log Pow were calculated from equilibrium concentrations in n-octanol (see below) and in water (see section 4.8)

The solubility in n-octanol was determined to be 6.8 µg/L at 23-24°C. This figure represents the mean of 3 determinations (range: 3.2 -10.8 µg/L, sigma = 3.8). The solubility in water was determined to be 2.6 µg/L (section 4.8)

 

These solubilities (equilibrium concentrations considering the tests performed) are used to calculate Pow with the following equation:

Pow = equilibrium concentration in octanol / equilibrium concentration in water

 

Pow = 6.8 µg/L / 2.6 µg/L

Pow = 2.6

log Pow = 0.4

 

Executive summary:

The log Pow of the test substance was calculated from the equilibrium concentrations in water and in n-octanol. The log Pow at 23-24 °C is 0.4.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2007
Report date:
2007

Materials and methods

Test guideline
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
yes
Remarks:
modified taking into account the very low water solubility of the test substance
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-methoxyphenyl)-3-oxobutyramide]
EC Number:
224-867-1
EC Name:
2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-methoxyphenyl)-3-oxobutyramide]
Cas Number:
4531-49-1
Molecular formula:
C34H30Cl2N6O6
IUPAC Name:
2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[N-(2-methoxyphenyl)-3-oxobutanamide]
Test material form:
solid: nanoform

Results and discussion

Water solubility
Water solubility:
2.6 µg/L
Temp.:
23 °C
pH:
ca. 7
Details on results:
The value given refers to room temperature (23-24 °C, see above) and represents the mean from 3 determinations (sigma = 0.1). Individual values were: 2.5, 2.6 and 2.6 µg/L.

Applicant's summary and conclusion

Conclusions:
The test substance is practically insoluble in water (< 0.1 mg/L)
Executive summary:

The water solubility at 23-24 °C was 2.6 µg/L.