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Water solubility

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Endpoint:
water solubility
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
From October 2009 to March 2010
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Data estimated by WATERNT v 1.01 using EPISUITE v 4
Principles of method if other than guideline:
WATERNT v 1.01 program of EPISUITE v 4

GLP compliance:
yes (incl. QA statement)
Type of method:
other: estimated
Water solubility:
>= 7.5 - <= 15 mg/L
Temp.:
25 °C
Remarks on result:
other: Estimated by WATERNT v 1.01 using EPISUITE v 4
Details on results:
As it can be seen from Table 1 that for 15 mg of amides, C18-18 and C18 unsaturated, N-(hydroxyethyl) in 1L of water the calculated C18 amide amount of 0.345 mg/L exceeded its solubility limit which equals 0.187 mg/L. The same situation appeared for the C18’ constituent: The calculated amount of 0.705 mg/L is greater than its water solubility limit of 0.411 mg/L. In case of increasing the amount of amides, C18-18 and C18 unsaturated, N-(hydroxyethyl) to 31 mg/L also the water solubility of C16 amide is exceeded. However for amounts of amides, C18-18 and C18 unsaturated, N-(hydroxyethyl) up to and including 7.50 mg/L all constituents of amides, C18-18 and C18 unsaturated, N-(hydroxyethyl) remain below the predicted solubility limits in water. Overall, based on the comparisons made in Table 1 it can be concluded that using the WATERNT model the water solubility of amides, C18-18 and C18 unsaturated, N-(hydroxyethyl) is calculated to be between 7.5 and 15 mg/L.

Table 1. Calculated amides, C18-18 and C18 unsaturated, N-(hydroxyethyl)

constituents water solubility and their content in amides, C18-18 and C18 unsaturated, N-(hydroxyethyl) -water mixtures

 

Component

Component concentration (%)

Calculated

water

solubility at 25 ºC

(mg/L)

Constituent concentration after addition of x mg of

Amides, C18-18 and C18 unsaturated, N-(hydroxyethyl)

to 1 L of water (mg/L)

Amides, C18-18 and C18 unsaturated, N-(hydroxyethyl)

added (mg/L)

3.75

7.50

15.0

31.0

Amides:

 

 

 

 

 

 

C8

8.2

25039

0.3075

0.615

1.23

2.542

C10

7.00

2427.7

0.263

0.525

1.05

2.170

C12

47.00

231.39

1.763

3.525

7.05

14.570

C14

18.70

21.761

0.692

1.403

2.805

5.797

C16

9.40

2.025

0.353

0.705

1.41

2.914

C18

2.30

0.187

0.086

0.173

0.345

0.713

C18’

4.70

0.411

0.176

0.353

0.705

1.457

C18’’

2.30

0.903

0.086

0.173

0.345

0.713

free amine

0.40

106

0.150

0.300

0.600

1.200

Conclusions:
Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
The water solubility of amides, C18-18 and C18 unsatd., N-(hydroxyethyl) was found to be between 7.5 and 15 mg/L at 25 ºC as estimated by WATERNT v 1.01 using EPI Suite v 4.
Executive summary:

Amides, C18-18 and C18 unsatd., N-(hydroxyethyl)consists of multiple constituents rendering the task of a reliable analytical quantification of the test item dissolved in water difficult. The experimental methods (EEC A.6 water solubility preliminary test and dilution test) were conducted which were based on visual analysis. The water solubility of amides, C18-18 and C18 unsatd., N-(hydroxyethyl)was found to be < 0.100 and < 0.0037 g/L at 20 ºC in EEC A.6 preliminary test and the dilution test, respectively. Sincethe water solubility limits which have been experimentally determined cannot be considered to be sufficiently reliable because of the weakness of the applied observation method, the water solubility was estimated by WATERNT v 1.01 using EPI Suite v 4 at 25 ºC and considered as the best estimate.The water solubility of amides, C18-18 and C18 unsatd., N-(hydroxyethyl)was found to bebetween7.5 and 15mg/Lat 25 ºC as estimated by WATERNT v 1.01 using EPI Suite v 4. Thereforeamides, C8-18 and C18 unsatd., N-(hydroxyethyl) can be considered as slightly soluble in water.

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
supporting study
Study period:
2020 (ongoing)
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
GLP compliance:
yes (incl. QA statement)
Type of method:
column elution method
Remarks:
slow stirring method
Remarks on result:
other: Study ongoing

Description of key information

The water solubility was estimated using the WATERNT v 1.01 program of EPISUITE v. 4.0.

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

Key value for chemical safety assessment

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

Additional information

The range of water solubility estimated using WATERNT v 1.01 was 7.5-15 mg/L.