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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:
May, 7-12, 2011
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
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

Additional information