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Physical & Chemical properties

Water solubility

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Reference
Endpoint:
water solubility
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
From Oct. 2009 to March 2010
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
Remarks:
Study conducted using scientifically acceptable experimental methods and WATERNT v 1.01 estimation method of EPISUITE v 4
Principles of method if other than guideline:
In the absence of a reliable analytical method for the quantification of the test item dissolved in water the incidence of turbidity due to visible dispersion was used as an approximation of the water solubility limit. This turbidity was observed visually or with the aid of a spectrometer.
GLP compliance:
yes (incl. certificate)
Type of method:
other: Various experimental methods (EEC A.6 Water solubility preliminary test; dilution test; water titration; turbidity analysis using UV-VIS) and estimation using WATERNT v 1.01 program of EPISUITE v 4
Key result
Water solubility:
>= 15 - <= 30 mg/L
Remarks on result:
other: Value based on various experimental methods and estimation. Since experiments and estimation were done at different temperatures, therefore no value for temperature provided here. Please see Table 1 for details.
Details on results:
Calculation method:
As it can be seen from Table 2 that for 30 mg of REWOMID DC 212 S in 1L of water the calculated C18 amide amount of 0.6 mg/L exceeded its solubility limit which equals 0.48 mg/L. The same situation appeared for the C18’ constituent: The calculated amount of 1.20 mg/L is greater than its water solubility limit of 1.06 mg/L. In case of increasing the amount of REWOMID DC 212 S to 70 mg/L also the water solubility of C16 amide is exceeded. However for amounts of REWOMID DC 212 S up to and including 20 mg/L all constituents of REWOMID DC 212 S remain below the predicted solubility limits in water. Overall, based on the comparisons made in Table 2 it can be concluded that the water solubility of REWOMID DC 212 S is between 20-30 mg.

Table 1. The results of REWOMID DC 212 S water solubility tests and calculation

 

Method

Evaluated water solubility of REWOMID DC 212 S, mg/L

EEC A.6 Water solubility preliminary test

< 100 at 20 ºC

Dilution test

15-30 at 20 ºC

Water “titration’’

< 30

Visual observation of mixtures used for UV-VIS absorbance measurement

10-30

UV-VIS absorbance measurement

30

Estimation method WATERNT v 1.01 of EPISUITE v 4

20-30 at 25 ºC

Table 2.Calculated REWOMID DC 212 S constituents water solubility and their content in REWOMID DC 212 S-water

mixtures

 

Component

Component concentration (%)

Calculated

water

solubility at 25 ºC

(mg/L)

Constituent concentration after addition of

x mg of REWOMID DC 212 S to 1 L of water, mg/L

REWOMID 212 S added , mg/L

10

20

30

40

50

70

Amides:

 

 

 

 

 

 

 

 

C8

7.0        

70175

0.7

1.4

2.1

2.8

3.5

4.9

C10

6.0

6635.2

0.6

1.2

1.8

2.4

3

4.2

C12

40.2

620.04

4.0

8.0

12.1

16.1

20.1

28.1

C14

16.0

57.39

1.6

3.2

4.8

6.4

8

11.2

C16

8.0

5.27

0.8

1.6

2.4

3.2

4

5.6

C18

2.0

0.48

0.2

0.4

0.6

0.8

1

1.4

C18’

4.0

1.06

0.4

0.8

1.2

1.6

2

2.8

C18’’

2.0

2.33

0.2

0.4

0.6

0.8

1

1.4

glycerol

monolaurate

3.0       

148.53

0.3

0.6

0.9

1.2

1.5

2.1

glycerol

8.0

106

0.8

1.6

2.4

3.2

4

5.6

diethanolamine

3.8

106

0.4

0.8

1.1

1.5

1.9

2.7

Conclusions:
Using various experimental methods as well as an estimation based on WATERNT v 1.01 (EPISUITE v. 4.0) the water solubility of amides, C8 -18 and C18 -unsatd., N,N-bis(hydroxyethyl) was determined to range from 15 to 30 mg/L.
Executive summary:

Amides, C8 -18 and C18 -unsatd., N,N-bis(hydroxyethyl) is composed of multiple constituents rendering the task of a reliable analytical quantification of amides, C8-18 and C18-unsatd., N,N-bis(hydroxyethyl) dissolved in water, difficult. Under the assumption that the water solubility limit of amides, C8 -18 and C18 -unsatd., N,N-bis(hydroxyethyl) corresponds to the maximum amount of amides, C8-18 and C18-unsatd., N,N-bis(hydroxyethyl) added to the point when the mixture becomes turbid different experimental approaches (EEC A.6 Water solubility preliminary test, dilution test, water titration, UV-VIS absorbance measurement) were used to approximate the water solubility of amides, C8-18 and C18-unsatd., N,N-bis(hydroxyethyl).This turbidity was observed visually or with the aid of a spectrometer. Further, the water solubility of amides, C8 -18 and C18-unsatd., N,N-bis(hydroxyethyl) was estimated by WATERNT v 1.01 using EPI Suite v 4 at 25 ºC. Using these experimental methods as well as an estimation based on WATERNT v 1.01 (EPISUITE v. 4.0) the water solubility of amides, C8-18 and C18-unsatd., N,N-bis(hydroxyethyl)was determined to range from 15 to 30 mg/L.

Description of key information

Different experimental approaches were used to approximate the water solubility of the test substance, which could be defined as the amount of substance added to the point when the mixture becomes turbid. Turbidity was observed visually or with the aid of a spectrometer. Water solubility was also estimated using the WATERNT v 1.01 program of EPI SUITE v 4.0 at 25°C (Zieliński, 2010).

Further water solubility testing according to OECD Guideline 105 is currently ongoing.

Key value for chemical safety assessment

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

Additional information

The water solubility was determined to range from 15 to 30 mg/L.