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]

Partition coefficient

Administrative data

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

Cross-reference

Cross-reference 1

Reason / purpose for cross-reference:

reference to same study

Reference

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

Reason / purpose for cross-reference:

reference to same study

Reason / purpose for cross-reference:

reference to same study

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

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.

Absorption

(d = 10 cm)       μg/L

0.00272            2.7

0.00313            3.1

0.00507            4.7

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.

Cross-reference 2

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:

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

Test material

Test material information

Constituent 1

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

Partition coefficient

Partition coefficient 1

Type:

Pow

Partition coefficient:

10.4

Temp.:

23 °C

pH:

ca. 7

Partition coefficient 2

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.

Any other information on results incl. tables

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

Applicant's summary and conclusion

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.