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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:
2019-02-25 to 2019-04-13
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
OECD Guideline for the Testing of Chemicals – 105 Water solubility (Adopted by the Council on 27th July 1995)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Specific details on test material used for the study:
Test Item Name: Azuril
Chemical Name: Reaction mass of 3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbonitrile and 4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbonitrile
Batch/Lot Number: A170421E
CAS Number: 68084-04-8/21690-43-7
Appearance: Clear, pale yellow liquid
Expiry Date: 06 June 2019
Purity: 100%
Storage: Protected from humidity (tight closed container) and under inert gas
Key result
Water solubility:
19.12 mg/L
Conc. based on:
test mat.
Loading of aqueous phase:
125 mg/L
Incubation duration:
72 h
Temp.:
20 °C
pH:
>= 4.53 - <= 5.05
Details on results:
The difference between the 24 and 48 hours samples was lower than the 15% limit and between the 48 and 72 hours were out of 15%. The 24 and 48 hours results were averaged to calculate the solubility. The solubility is given as mean ± SD. The water solubility of the test item is 19.12 ± 2.07 mg/L at 20 ± 0.5°C.

Calibration

Table 1.        Summary of the calibrations

Analytical occasion

A

B

R2

Accuracy (%)

at LOQ

above LOQ

01 March 2019

22.3778

0.0314

0.9998

99.4

92.5 – 102.9

14 March2019

23.0744

0.0388

0.9995

92.7

93.7 – 103.2

14 April 2019

21.6197

0.0409

0.9990

86.4

85.7 – 104.2

Table 2.        Min – max temperatures during the experiment

Date

Tmin(°C)

Tmax(°C)

08 April 2019

20.03

09 April 2019

19.97

20.17

10 April 2019

19.87

20.22

11 April 2029

19.76

20.34

12 April 2019

19.84

20.21

Table 3.        Results of the solubility measurements

Sample

Exp. Unit

pH

cTS

cAverage

Difference-between days

Solubility

SD

(mg/L)

(mg/L)

(%)

(mg/L)

(mg/L)

TS24h-01

5

5.04

20.22

19.75

N/A

19.12

2.07

TS24h-02

21.27

TS24h-03

19.82

TS24h-04

20.46

TS24h-05

20.88

TS24h-06

6

5.05

18.94

TS24h-07

18.98

TS24h-08

18.59

TS24h-09

19.57

TS24h-10

18.79

TS48h-01

3

4.63

15.89

18.48

6.9

TS48h-02

15.56

TS48h-03

15.79

TS48h-04

16.22

TS48h-05

16.26

TS48h-06

4

4.53

20.77

TS48h-07

20.89

TS48h-08

21.81

TS48h-09

20.67

TS48h-10

20.96

TS72h-01

1

5.04

8.815

7.63

142.4

 

 

TS72h-02

8.357

TS72h-03

8.614

TS72h-04

8.651

TS72h-05

8.682

TS72h-06

2

5.01

6.388

TS72h-07

6.401

TS72h-08

6.500

TS72h-09

6.224

TS72h-10

6.510
Conclusions:
The water solubility of the test item is 19.12 ± 2.07 mg/L at 20 ± 0.5°C.
Executive summary:

The water solubility of Azuril was determined using the flask method and measured using HPLC. This was undertaken according to OECD 105 TG. The water solubility of Azuril is 19.12 mg/L at 20°C.

Description of key information

The water solubility of Azuril was determined using the flask method and measured using HPLC. This was undertaken according to OECD 105 TG. The water solubility of Azuril is 19.12 mg/L at 20°C.

Key value for chemical safety assessment

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

Additional information