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Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2006/7
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions
Remarks:
test procedure similar to OECD 105
Cross-referenceopen allclose all
Reason / purpose for cross-reference:
reference to same study
Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
19 April 2012
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
Reason / purpose for cross-reference:
reference to same study
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 solubility in both, water and n-octanol
Principles of method if other than guideline:
Based on the determined solubilities in water and n-octanol the partition coefficient was calculated.
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
octanol-water
Type:
Pow
Partition coefficient:
10.4
Temp.:
23 °C
pH:
ca. 7
Type:
log Pow
Partition coefficient:
1.02
Temp.:
23 °C
pH:
ca. 7
Details on results:
The n-octanol and the water solubility were both determined at 23-24 °C.
It is not possible to enter a temperature range in the field above, therefore 23 °C was taken as the temperature value.

Calculation:

log Pow = log (c(n-octanol)/c(water))

(c: individual solubilities; see sections 4.8 and 4.9 and below).

Octanol solubility [µg/L]

 36.5

Water solubility [µg/L]

 3.5
Conclusions:
The calculated log Pow of the test substance is 1.02.
Executive summary:

The log Pow of the test substance was calculated from the solubility in n-octanol (see section 4.9) and the solubility in water (see section 4.8). The calculated log Pow of the test substance is 1.02 at 23-24 °C.

Reason / purpose for cross-reference:
reference to same study
Reference
Endpoint:
solubility in organic solvents / fat solubility
Type of information:
experimental study
Adequacy of study:
supporting study
Study period:
2006/7
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
Reason / purpose for cross-reference:
reference to same study
Qualifier:
according to guideline
Guideline:
other: ETAD Analytical Expert Group
Principles of method if other than guideline:
The method for the determination is in agreement with the method that was agreed upon at the Analytical Experts Meeting of ETAD (Basel) on January 12, 2005.
Medium:
n-octanol
Solubility:
36.5 µg/L
Temp.:
23 °C
Remarks on result:
other: Ambient temperature (23-24 °C)
Details on results:
The value above represents the mean from 3 determinations (sigma=5.1). See below for individual values.

Absorption (d = 10 cm)       μg/L

0.03790                            32.0

0.04205                            35.4

0.04999                            42.0

Conclusions:
The solubility of the test item in n-octanol at ambient temperature (23-24 °C) is 36.5 µg/L.
Executive summary:

The n-octanol solubility of the test substance was determined according to the method that was agreed upon at the Analytical Experts Meeting of ETAD (Basel) on January 12, 2005. The solubility of the test item in n-octanol at ambient temperature (23-24 °C) is 36.5 µg/L.

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 solubility of the test substance
Principles of method if other than guideline:
Test procedure according to method of Analytical Expert Group ETAD (Ecological and Toxicological Association of Dyes and Organic Pigment Manufacturer)
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
4,4'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[2,4-dihydro-5-methyl-2-(p-tolyl)-3H-pyrazol-3-one]
EC Number:
239-898-6
EC Name:
4,4'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[2,4-dihydro-5-methyl-2-(p-tolyl)-3H-pyrazol-3-one]
Cas Number:
15793-73-4
Molecular formula:
C34H28Cl2N8O2
IUPAC Name:
4,4'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one]
Test material form:
solid: nanoform

Results and discussion

Water solubility
Water solubility:
3.5 µg/L
Temp.:
23 °C
pH:
ca. 7
Remarks on result:
other: Temperature: 23-24 °C
Details on results:
The value above represents the mean from 3 determinations (sigma=1.1). See below for individual values.

Any other information on results incl. tables

Absorption

(d = 10 cm)       μg/L

0.00272            2.7

0.00313            3.1

0.00507            4.7

Applicant's summary and conclusion

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

The water solubility of the test substance was determined according to the method that was agreed upon at the Analytical Experts Meeting of ETAD (Basel) on January 12, 2005. The solubility of the test item in water at ambient temperature (23-24 °C) is 3.5 µ/L.

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