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Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
02-01-2018 – 05-01-2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
Experimental test result performed using standard OECD test guidelines
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Principles of method if other than guideline:
The water solubility determination of test item Bis(4-hydroxy-N-methylanilinium) sulphate (CAS No. 55-55-0) was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101.
GLP compliance:
not specified
Type of method:
other: by spectrophotometric analytical method
Specific details on test material used for the study:
- Name of test material: p-Methylaminophenol sulfate
- IUPAC name: Bis(4-hydroxy-N-methylanilinium) sulphate
- Molecular formula: C14H20N2O6S
- Molecular weight: 344.386 g/mole
- Smiles:CNc1ccc(cc1)O.CNc1ccc(cc1)O.OS(=O)(=O)O
- Inchl: 1S/2C7H9NO.H2O4S/c2*1-8-6-2-4-7(9)5-3-6;1-5(2,3)4/h2*2-5,8-9H,1H3;(H2,1,2,3,4)
- Substance type: Organic
- Physical state: Solid crystalline (off white - white)
Key result
Water solubility:
81 652 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
other: no other details mentioned

WATER SOLUBILITY: PRELIMINARY TEST

0.1g of test item was taken in 100 ml beaker. DI water was added in increasing amount in sequence of 0.1 ml, 0.5 ml, 1.0 ml,

2.0 ml, 10.0 ml and 100.0 ml with intermediate stirring.

For highly soluble substances: Preliminary water solubility of test item was found 0.1g in 2 ml DI water. Five times the

concentration recorded from preliminary solubility was used for confirmatory study.

WATER SOLUBILITY: CONFIRMATORY TEST

Five times the concentration recorded from preliminary solubility = 50000 mg/L × 5 = 250000 mg/L was used for confirmatory

study. Two separate solution of 12500 mg in 100 ml DI water were prepared and kept for stirring for 48 hrs and 72 hrs. After

the completion of stirring period the absorbance for all the two solution were recorded and concentration was detected on the

basis of standard curve. Table 2 refers to the same.

 

Sample stirring

 

Concentration obtained on the basis of standard curve

 

Dilution factor

 

Solubility value obtained (mg/L)

 

24 hour

 

-

 

-

 

-

 

48 hour

 

8.193 mg/L

 

8000

 

65544 mg/L

 

72 hour

 

12.22 mg/L

 

8000

 

97760 mg/L

 

Considering the water solubility for 48 hrs and 72 hrs the mean water solubility was calculated as follows: Mean water solubility value for 48 hour run sample + 72 hour run sample

=(65544+97760)/2

=81652 mg/L

Conclusions:
The water solubility for the test item Bis(4-hydroxy-N-methylanilinium) sulphate was found to be 81652 mg/L at 25°C.
Executive summary:

The water solubility determination of test item Bis(4-hydroxy-N-methylanilinium) sulphate (CAS No. 55-55-0) was done as per the OECD guideline 105 byspectrophotometric analytical method as per OECD 101. The solubility of (Bis(4-hydroxy-Nmethylanilinium) sulphate of CAS No.55-55-0) in water was found to be 81652 mg/L at 25°C.

Description of key information

The water solubility for the test item Bis(4-hydroxy-N-methylanilinium) sulphate was found to be 81652 mg/L at 25°C.

Key value for chemical safety assessment

Water solubility:
81 652 mg/L
at the temperature of:
25 °C

Additional information

The water solubility determination of test item Bis(4-hydroxy-N-methylanilinium) sulphate (CAS No. 55-55-0) was done as per the OECD guideline 105 byspectrophotometric analytical method as per OECD 101. The solubility of (Bis(4-hydroxy-Nmethylanilinium) sulphate of CAS No.55-55-0) in water was found to be 81652 mg/L at 25°C.

Other supporting studies from various authoritative databases, also supported the selected key study and exhibited the water solubility of Bis(4-hydroxy-N-methylanilinium) sulphate as 50000 mg/L at 20.00 °C, 47900 mg/L at 15 °C and 47000 mg/L respectively.

On the basis of obtained values the compound Bis(4-hydroxy-N-methylanilinium) sulphate was considered to be very soluble in water.