α,α,α',α'-tetramethyl-m-xylene-α,α'-diol

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

May, 7-12, 2011

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

not specified

GLP compliance:

no

Type of method:

flask method

Water solubility:

2.66 g/L

Temp.:

20 °C

pH:

6

The result of the preliminary test

Mass of the sample taken: 0.1032 g

The result of the preliminary test

No.	Volume of water added / mL	Result
1	0.1	Not dissolved completely
2	0.5	Not dissolved completely
3	1	Not dissolved completely
4	2	Not dissolved completely
5	10	Not dissolved completely
6	100	Dissolved completely

The test phenomena and results

1) The result of the preliminary test has proved that the water solubility is between 1g/L and 10 g/L; the test method can then be desiged as following: 2.5 g of the sample should be taken and 100 mL of water be used.

2) The centrifuging solutions should be diluted for 2.5 - 25 times based on the fact that the concentrations of the standard solutions are 0.02 g/50 mL. The actual procedure is as following:

pipette 2.00 mL of each centrifuging solution into each 10 mL volumetric flask, fill to the mark with methanol and mix well. Diluting times can be obtained: n = 5.

Determination results

The result of Water Solubility

No.	Solution	Mass taken	pH at 20°C	Peakarea	Average value of peak areas	Factor(f)	Average Value off	Mass Concentration (g/mL,20'C)
1	STD1	0.02030	/	35985568	/	9.0167E+10	/	/
2	1#	/	6.0	46900386	46755381	/	8.9732E+1O	2.605E-03
3				46610376
4	STD2	0.02030	/	35638168	/	8.9297E+1O	/	/
5	2#	/	6.0	47819158	47886260	/	8.8977E+1O	2.691E-03
6				47953361
7	3#	/	5.9	47278372	48055035	/	8.8977E+1O	2.700E-03
8				48831697
9	STD2	0.02030	/	35383130	/	8.8658E+IO	/	/

Relative deviations (absolute value) between each two results of the centrifuging solutions:

1#-2#: 3.2%; 1#-3#: 3.6%; 2#-3#: 0.4%

Discuss and evaluation of analytical results

The determination results can be avail based on the fact that each deviation is less than 15%.

The average value of three results can be calculated as the final data of Water Solubility:

 

[(2.605x 10^-3+ 2.691 x10^-3+2.700x 10^-3) / 3] g/mL= 2.66g/L

Conclusions:

Interpretation of results (migrated information): soluble (1000-10000 mg/L)
The water solubility of α,α,α',α'-tetramethyl-m-xylene-α,α'-diol is 2.66 g/L at 20°C and pH 6.

Executive summary:

Very well documented study according to OECD guideline.

The water solubility of α,α,α',α'-tetramethyl-m-xylene-α,α'-diol is 2.66 g/L at 20°C and pH 6.

Description of key information

The water solubility of α,α,α',α'-tetramethyl-m-xylene-α,α'-diol is 2.66 g/L at 20°C and pH 6.  

Key value for chemical safety assessment

Water solubility:

2.66 g/L

at the temperature of:

20 °C