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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:
29 November 2019 - 10 December 2019
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
GLP study to current guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Specific details on test material used for the study:
Chemical name: 1,3-dicyanobenzene
CAS number: 626-17-5
Batch/Lot number: JB1906150101
Appearance: Off White Solid Flakes
Purity: 99.8 w/w %
Expiry date: 15 June 2020
Storage conditions: Room temperature (15-25 ºC, below 70% relative humidity), Protected from humidity (tight closed container)
Safety precautions: Routine safety precautions (lab coat, gloves, safety glasses, face mask) for unknown materials were applied to assure personnel health and safety.
Key result
Water solubility:
> 222.3 - < 243 mg/L
Conc. based on:
test mat. (dissolved fraction)
Incubation duration:
> 3 - < 5 d
Temp.:
20 °C
pH:
> 6.4 - < 7
Remarks on result:
other:
Remarks:
Day 1
Key result
Water solubility:
> 322.4 - < 357.5 mg/L
Conc. based on:
test mat. (dissolved fraction)
Incubation duration:
> 3 - < 5 d
Temp.:
20 °C
pH:
> 6.4 - < 7
Remarks on result:
other:
Remarks:
Day 2
Key result
Water solubility:
> 350.7 - < 403.1 mg/L
Conc. based on:
test mat. (dissolved fraction)
Incubation duration:
> 3 - < 5 d
Temp.:
20 °C
pH:
> 6.4 - < 7
Remarks on result:
other:
Remarks:
Day 3
Details on results:
After the incubation period, the test item formed white color suspension with the water, so undissolved test item remained in the flasks.
The pH of the blank water and the filtered clear samples were 7.0 and 6.4, respectively.
Filtered samples were analyzed using the validated HPLC method. The measured test item concentrations are summarized above.

After the incubation period, the test item formed white color suspension with the water, so undissolved test item remained in the flasks.

 

The pH of the blank water and the filtered clear samples were 7.0 and 6.4, respectively.

 

Filtered samples were analyzed using the validated HPLC method. The measured test item concentrations are summarized in Table 3.

 

Test item concentration of filtered water samples

Replicate samples

 

Test item concentration of filtered water samples (mg/L)

Day 1

Day 2

Day 3

Mean of Day 2 and 3

(Water solubility in mg/L)

1

240.9

322.6

403.1

357.3

2

243.0

357.5

387.8

3

222.3

322.4

350.7

MEAN

235.4

334.2

380.5

RSD

4.8%

6.0%

7.1%

9%

 

Water solubility of the test item is given as the mean of the concentrations measured on the second (334.2 mg/L) and third days (380.5 mg/L).

 

The water solubility of Isophthalonitrile is 357.3 mg/L at 20 ± 0.5 °C.

 

The relative standard deviation of the results observed on Day 2 and 3 is 9%, which is in accordance with the specification of the guideline (≤15 %).

Conclusions:
Water solubility of the test item is given as the mean of the concentrations measured on the second (334.2 mg/L) and third days (380.5 mg/L).
The water solubility of Isophthalonitrile is 357.3 mg/L at 20 ± 0.5 °C.
The relative standard deviation of the results observed on Day 2 and 3 is 9%, which is in accordance with the specification of the guideline (≤15 %).
Executive summary:

Water solubility of the test item is given as the mean of the concentrations measured on the second (334.2 mg/L) and third days (380.5 mg/L).

The water solubility of Isophthalonitrile is 357.3 mg/L at 20 ± 0.5 °C.

Description of key information

Water solubility of the test item is given as the mean of the concentrations measured on the second (334.2 mg/L) and third days (380.5 mg/L).

The water solubility of Isophthalonitrile is 357.3 mg/L at 20 ± 0.5 °C.

The relative standard deviation of the results observed on Day 2 and 3 is 9%, which is in accordance with the specification of the guideline (≤15 %).

Key value for chemical safety assessment

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

Additional information