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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
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Well documented guideline study on a well-defined test substance.
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
GLP compliance:
not specified
Type of method:
flask method
Water solubility:
>= 34.9 - <= 35.5 g/L
Temp.:
20 °C
pH:
6.5

Water Solubility Results Determined by HPLC

Test Substance in Water (Supernatants)

Equilibrium Time at 20°C (days)

Concentration of test substance in water (wt%)

*pH

S20366-158-1

1

3.54

6.5

S20366-158-2

1

3.53

6.5

S20366-158-3

2

3.54

6.5

S20366-158-4

2

3.52

6.5

S20366-158-5

3

3.49

6.5

S20366-158-6

3

3.48

6.5

*pH measured as per OECD 105 requirement.

Conclusions:
Interpretation of results (migrated information): very soluble (> 10000 mg/L)
The water solubility of the test substance at 20°C is 3.52 wt% ± 0.03 wt%, 35.2 g/L ± 0.3 g/L, 0.2237 Moles/L ± 0.0016 Moles/L.

Description of key information

The water solubility of the test material at 20 °C was assessed according to OECD Test Guideline 105 using a flask method. The water solubility is 3.52 ± 0.03 wt%, 35.2 ± 0.3 g/L, 0.2237 ± 0.0016 Moles/L.

Key value for chemical safety assessment

Water solubility:
35.2 g/L
at the temperature of:
20 °C

Additional information

The water solubility of the test material at 20 °C was assessed according to OECD Test Guideline 105 using a flask method.

Two vials containing ~20 wt% test substance in distilled water were placed into a constant temperature bath at 30 °C and were allowed to equilibrate for 24 hours. They were hand shaken occasionally throughout the day. The next day vials were allowed to equilibrate at 20 °C in a constant temperature bath. Also on day 2, a 2nd set of vials were placed in the 30 °C bath and removed to equilibrate at 20 °C for 2 days. On day 3, a 3rd set of vials were placed in a 30 °C bath for 24 hours and allowed to equilibrate at 20 °C for 1 day. On day 4, all six vials were removed from the constant temperature bath and centrifuged. The supernatants were collected in order to determine the concentration. The pH of the supernatants was determined using pH strips. Results indicate that the test substance is fully equilibrated within 24 hours of exposure at 20 °C.

0.02000 ± 0.0198 g of the supernatants was weighed out in a 4-dram vial and diluted in 10 mL of water. The test substance concentration was determined against external standards. A stock test substance solution was prepared by weighing 0.02 g in a 100 mL volumetric flask, dissolving it in ~3 mL methanol, and diluting to the mark with water. Serial dilutions were made in water for a set of standards ranging from 7.8 – 195 mg/L. A six-point calibration curve was constructed from the standards. Samples and standards were transferred to autosampler vials for HPLC/UV analysis. Samples were injected after standards in the sequence.

The water solubility is 3.52 ± 0.03 wt%, 35.2 ± 0.3 g/L, 0.2237 ± 0.0016 Moles/L. The test material is considered very soluble.