3,5,5-trimethylhexan-1-ol

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Study initiation date: 2 November 2009 Study completion date: 10 March 2010

Reliability:

1 (reliable without restriction)

Qualifier:

equivalent or similar to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Qualifier:

equivalent or similar to guideline

Guideline:

EU Method A.6 (Water Solubility)

GLP compliance:

yes

Type of method:

flask method

Water solubility:

0.4 g/L

Temp.:

20 °C

pH:

7.2

Six samples were prepared, each of which contained approx. 39 mg of the test item in 15.0 mL water. The samples were shaken at 30 °C for 24, 48 and 72 h, respectively, and then equilibrated at 20±0.5 °C for 24 h. After this, the aqueos phase was withdrawn. The concentration of the test item in the clear aqueous phase of the samples was determined by carbon analysis. The temperature ( 20±0.5 °C) was kept constant in all relevant parts of the equipment.

Main test 1:

Sample no.	Amount of test item [mg]	Added volume of water [mL]	Shaking time at 30 °C [h]	Analysed carbon concentration [mg C/L]	Concentration of the test item [mg/L]^1)	pH value^2)
1	39.11	15	24	300	402	6.0
2	38.31	15	24	311	416	6.3
3	38.64	15	48	326	436	6.6
4	38.79	15	48	330	442	6.7
5	39.36	15	72	330	442	6.7
6	39.34	15	72	332	444	6.7

¹⁾calculated from the carbon concentration of the sample solutions and the carbon content of the pure test item (74.70 %)

²⁾The purified water used for the tests had a pH value of 7.4.

Mean value of all samples: 430±17 mg/L (4.02%).

The relative standard deviation of the concentrations in all six samples was smaller than 15%, but the three dublicate sets of samples showed a tendency of increasing concentration values. Thus, it was decided to repeat the test using prolinged incubation periods.

Main test 2:

Sample no.	Amount of test item [mg]	Added volume of water [mL]	Shaking time at 30 °C [days]	Analysed carbon concentration [mg C/L]	Concentration of the test item [mg/L]^1)	pH value^2)
1	39.03	15	3	313	418	7.17
2	36.65	15	3	298	398	7.19
3	38.93	15	5	307	410	7.14
4	40.50	15	5	294	393	7.12
5	38.27	15	7	299	400	7.34
6	39.99	15	7	318	425	7.30

¹⁾calculated from the carbon concentration of the sample solutions and the carbon content of the pure test item (74.81 %)

²⁾The purified water used for the tests had a pH value of 7.60.

Mean value of all samples: 407±12 mg/L (3.1%).

The relative standard deviation of the concentrations in all six samples was smaller than 15% and the three dublicate sets of samples showed no tendency of increasing concentration values. Thus, the test was satisfactory.

Conclusions:

Interpretation of results: moderately soluble (100-1000 mg/L)
Water solubility (at 20 °C): 0.4 g/L

Executive summary:

The water solubility of the test item was determined according to OECD guideline no. 105 [adopted on 27 July 1995] and EU test method A.6 [Directive 92/69/EEC, Official Journal L 383 A 1992] with the modified flask method.

Water solubility (at 20 °C): 0.4 g/L

The test(s) used to generate this report was(were) carried out in compliance with the principles of Good Laboratory Practice (GLP) in accordance with the currently valid German Chemical Substance Act (Chemikaliengesetz – ChemG), the underlying Commission Directive 2004/10/EC of 11 February 2004 and the relevant OECD decision of the council on 26 November 1997 and that the results fully reflect those found in the study.

 

Description of key information

The water solubility of the test item was determined according to OECD guideline no. 105 [adopted on 27 July 1995] and EU test method A.6 [Directive 92/69/EEC, Official Journal L 383 A 1992] with the modified flask method.

Water solubility (at 20 °C): 0.4 g/L

Key value for chemical safety assessment

Water solubility:

0.4 g/L

at the temperature of:

20 °C