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Diss Factsheets

Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
05 Jul - 18 Jul 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
GLP guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2016
Report date:
2016

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
GLP compliance:
yes (incl. QA statement)
Remarks:
LUBW Landesanstalt für Umwelt, Messungen und Naturschutz Baden-Württemberg, Karlsruhe, Germany
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
3,5-di-tert-butyl-4-hydroxybenzyl alcohol
EC Number:
201-815-6
EC Name:
3,5-di-tert-butyl-4-hydroxybenzyl alcohol
Cas Number:
88-26-6
Molecular formula:
C15H24O2
IUPAC Name:
2,6-Di-tert-butyl-4-(hydroxymethyl)phenol
Specific details on test material used for the study:
Storage conditions: ambient (5 to 30 °C), dark, dry

Results and discussion

Water solubility
Water solubility:
22.95 mg/L
Conc. based on:
test mat. (dissolved fraction)
Temp.:
20 °C
pH:
5.84

Any other information on results incl. tables

Results
Preliminary test

Table 3 – Preliminary test results (1sttest)

Test item [mg]

Total volume of ultra-pure water [mL]

Shaking time [min]

Remarks

Approx. solubility [g/L]

100.2

0.1

10

Not completely dissolved

< 1002

100.2

0.5

10

Not completely dissolved

< 200.4

100.2

1

10

Not completely dissolved

< 100.2

100.2

2

10

Not completely dissolved

< 50.1

100.2

10

10

Not completely dissolved

< 10.0

100.2

100

10

Not completely dissolved

< 1.0

100.2

100

18 h

Not completely dissolved

< 1.0

100.2

100

23 h

Not completely dissolved

< 1.0

100.2

100

24 h

Not completely dissolved

< 1.0

 

Table 4 – Preliminary test results (2ndtest)

Test item [mg]

Total volume of ultra-pure water [mL]

Shaking time [min]

Remarks

Approx. solubility [mg/L]

10.1

100

10

Not completely dissolved

< 101

10.1

200

10

Not completely dissolved

< 50.5

10.1

500

3 h

Not completely dissolved

< 20.2

10.1

1000

3 h

Not completely dissolved

10.1 – 20.2

10.1

1000

16 h

Not completely dissolved

10.1 – 20.2

10.1

1000

24 h

Dissolved

10.1 – 20.2

 

Main Test

Table 5 – Water Solubility results

 

Run time [h]

Analyte concentration [mg/L] Flask 1

Analyte concentration [mg/L] Flask 2

Mean concentration [mg/L]

pH value

48
72
96

23.31
26.07
19.12

22.81
25.62
20.76

23.06
25.85
19.94

5.83
5.86
5.83

 

 

Mean

22.95

5.84

Standard deviation

2.70

0.02

Relative standard deviation [%]

11.8

0.3

 

Conclusion
Water solubility of the test item was determined in ultra-pure water in equilibrium with atmospheric carbon dioxide at a temperature of 20 
±0.5 °C.

Table 6 – Final results

Determined pH

5.84

Temperature [°C]

19.7 – 20.0

Mean solubility [mg/L]

22.95

 

Applicant's summary and conclusion