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Physical & Chemical properties

Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2008-03-07 - 2008-03-28
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
Experimental test result performed using standard OECD test guidelines
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Principles of method if other than guideline:
Determination of the Water Solubility of test chemical was done according to OECD Guidelines, by Column elution method.
GLP compliance:
yes
Type of method:
column elution method
Specific details on test material used for the study:
- Name of test material : Disperse Yellow 201
- IUPAC name : (4-{[2-(4-cyclohexylphenoxy)ethyl](ethyl)amino}-2-methylbenzylidene)malononitrile / Solvent Yellow 179
- Molecular formula): C27H31N3O
- Molecular weight :413.562 g/mol
- Smiles notation : N#C\C(C#N)=C/c1c(cc(N(CCOc2ccc(cc2)C2CCCCC2)CC)cc1)C
- InChl: 1S/C27H31N3O/c1-3-30(26-12-9-25(21(2)17-26)18-22(19-28)20-29)15-16-31-27-13-10-24(11-14-27)23-7-5-4-6-8-23/h9-14,17-18,23H,3-8,15-16H2,1-2H3
- Substance type:Organic
- Physical state:Solid
- Batch no.: CHZTRD683R
- Content of test substance: 99.2 % (analyzed under CURRENTA-file-no.: 2008/0021/01)
Key result
Water solubility:
< 0.001 mg/L
Conc. based on:
test mat.
Temp.:
20 °C
pH:
6.2
Remarks on result:
other: by Column elution method

Solution of the test substance:

Initial weight: 102.8 mg / 100 ml

Solvent: Acetonitrile

Content of the test substance: 99.2 %

Loading of the support:

Support material: Chromosorb W/AW (0.15 -0.18 mm), Merck

Initial weight of the support material: 600 mg

Volume of the solution of the test substance: 10 ml

Test temperature: 20 °C ± 0.5 °C

The concentrations of test chemical in the fractions were determined by HPLC. Eighteen fractions were collected from column 1 and ten fractions from column 2. The results of the two tests were not in agreement. Therefore a third test with a flow rate of 6 ml/h (column 3) was performed and fifteen fractions were collected. Ten data points are listed in the following table including the eight fractions from column 2 and seven fractions from column 3 with constant concentrations, which were used for the determination of the water solubility (marked with *). For each fraction 10 ml were collected.

       Column 1 (12 ml/h)        Column 2 (24 ml/h)        Column 3 (6 ml/h)
 fraction no.  pH value

 Concentration

[β ] = mg/l

  fraction no.

  pH value

 concentration

[β ] = mg/l

  fraction no.

  pH value

 concentration

[β ] = mg/l

 8

 6.2

 <0.002

 1

 6.4

 0.002

6

  6.4

 <0.002

 9

 6.3

 <0.002

 2

 6.3

 <0.002

7

  6.4

 <0.002

 10

 6.4

 <0.002

 3*

 6.1

nd<0.0007 

8

  6.3

 <0.002

 11

 6.3

 <0.002

 4*

 6.0

 nd<0.0007

9*

  6.3

 nd<0.0007

 12

 6.4

 <0.002

 5*

 6.3

 nd<0.0007

10*

  6.3

 nd<0.0007

 13

 6.2

 <0.002

 6*

 6.2

 nd<0.0007

11*

  6.4

 nd<0.0007

 14

 6.3

 <0.002

 7*

 6.3

 nd<0.0007

12*

  6.4

 nd<0.0007

 15

 6.2

 <0.002

 8*

 6.4

 nd<0.0007

13*

  6.4

 nd<0.0007

 16

  6.3

 <0.002

 9*

 6.4

 nd<0.0007

14*

  6.3

 nd<0.0007

 17

  6.3

 <0.002

 10*

 6.4

 nd<0.0007

15*

  6.4

 nd<0.0007

Column 2       Mean value       nd<0.0007mg/l

Column 3       Mean value       nd<0.0007mg/l

Mean value of column 2 and 3: nd<0.0007 mg/l corresponds to < 7 E-07 g/l

Conclusions:
The water solubility of test chemical was determined to be less than 0.0007 mg/l at 20 °C.
Executive summary:

Determination of the Water Solubility of test chemical was done according to OECD Guidelines, with the help of Column elution method. The water solubility was determined to be less than 0.0007 mg/l at 20 °C.

Hence based on the experimental value test chemical was considered to be insoluble in water.

Description of key information

The water solubility of test chemical was determined to be less than 0.0007 mg/l at 20 °C.

Key value for chemical safety assessment

Water solubility:
0.001 mg/L
at the temperature of:
20 °C

Additional information

Determination of the Water Solubility of test chemical was done according to OECD Guidelines, with the help of Column elution method. The water solubility was determined to be less than 0.0007 mg/l at 20 °C.

Hence based on the experimental value test chemical was considered to be insoluble in water.

Other supporting data also determined water solubility of test chemical were different values as 0.004–0.006 mg/L at 21 -25 °C, less than 0.0007 mg/L at 20 °C and 0.0017 mg/L at 20 °C respectively.

Based on the above all experimental and estimated values test chemical was considered to be insoluble in water.