6-chloro-2-(6-chloro-4-methyl-3-oxobenzo[b]thien-2(3H)-ylidene)-4-methylbenzo[b]thiophene-3(2H)-one

Partition coefficient

Administrative data

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:

Procedure according to method of Analytical Expert Group ETAD (Ecological and Toxicological Association of Dyes and Organic Pigment Manufacturer); method similar to Annex V, A.8, 1.6.1, Directive 67/548/EEC

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

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

Remarks:

test procedure simillar 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:

4.6 µg/L

Temp.:

22 °C

pH:

ca. 7

Remarks on result:

other: mean of 3 measurements

_{The solubility of the sample C.I. Pigment Red 181 in water at ambient temperature, determined under the conditions as mentioned above, is 4.6 µg/L (mean, n = 3, sigma = 0.5).}

Table 1: Individual results

	Absorption (d = 10 cm)	µg/L
a1	0.00148	4.0
a2	0.00181	4.8
a3	0.00185	4.9

Conclusions:

the test substance is practically insoluble in water (< 0.1 mg/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

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: Analytical Expert Group ETAD

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)

Medium:

n-octanol

Solubility:

0.53 mg/L

Temp.:

22 °C

Remarks on result:

other: mean of 3 measurements

Test substance stable:

yes

_{The solubility of the sample C.I. Pigment Red 181 in n-octanol at ambient temperature, determined under the conditions as mentioned above, is 0.53 mg/L (mean, n = 3,sigma= 0.01).}

Table 1: Individual results

	Absorption (d = 10 cm)	mg/L
a1	0.2244	0.53
a2	0.2245	0.53
a3	0.2278	0.54

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2008

Report date:

2008

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: ETAD Analytical Expert Group

Version / remarks:

methold 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 in n-octanol the partition coefficient was estimated (chapter 1.6.1, A.8). Instead of saturated solvent
systems pure solvents were used.

Type of method:

estimation method (solubility ratio)

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

6-chloro-2-(6-chloro-4-methyl-3-oxobenzo[b]thien-2(3H)-ylidene)-4-methylbenzo[b]thiophene-3(2H)-one

EC Number:

219-163-6

EC Name:

6-chloro-2-(6-chloro-4-methyl-3-oxobenzo[b]thien-2(3H)-ylidene)-4-methylbenzo[b]thiophene-3(2H)-one

Cas Number:

2379-74-0

Molecular formula:

C18H10Cl2O2S2

IUPAC Name:

6-chloro-2-[(2E)-6-chloro-4-methyl-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]-4-methyl-2,3-dihydro-1-benzothiophen-3-one

Test material form:

solid: nanoform

Results and discussion

Partition coefficient

Partition coefficient 1

Type:

log Pow

Partition coefficient:

2.06

Temp.:

22 °C

pH:

ca. 7

Partition coefficient 2

Type:

Pow

Partition coefficient:

115.22

Temp.:

22 °C

pH:

ca. 7

Any other information on results incl. tables

Solubility of Pigment Red 181 in n-octanol: 530 µg/l

Water solubility of Pigment Red 181 : 4.6 µg/l

P_{ow PR 181} = 115.22

log P_{ow PR 181} = 2.06