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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:
guideline study
Justification for type of information:
data is from experimental reports
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Principles of method if other than guideline:
The water solubility determination of test item Tetrabutylammonium hydrogen sulphate (CAS No. 32503-27-8) was done as per the OECD guideline 105 byspectrophotometric analytical method as per OECD 101.
GLP compliance:
not specified
Type of method:
flask method
Specific details on test material used for the study:
- Name of test material (as cited in study report): Tetrabutylammonium hydrogen sulphate
- Molecular formula : C16H36N.HO4S
- Molecular weight : 339.53g/mol
- Smiles notation: C([N+](CCCC)(CCCC)CCCC)CCC.S([O-])(=O)(=O)O
- InChl : 1S/C16H36N.H2O4S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
- Substance type: Organic
- Physical state: Solid
Key result
Water solubility:
311 402.3 mg/L
Conc. based on:
test mat.
Temp.:
28 °C
Remarks on result:
other: no additional details mentioned

Confirmatory test results:

Sample stirring time (hr)

Concentration obtained on the basis of standard curve

(mg/l)

Dilution factor

Solubility value obtained (mg/l)

24

-

-

-

48

32768.90

-

32768.90

72

29435.96

-

29435.96

 

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

=(32768.90+29435.96)/2

=31102.43 mg/L

Conclusions:
The water solubility for the test item Tetrabutylammonium hydrogen sulphate was determined to be 31102.43 mg/L at 28°C.
Executive summary:

The water solubility determination of test item Tetrabutylammonium hydrogen sulphate (CAS No. 32503-27-8) was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101.The water solubility was determined to be 31102.43 mg/L at 28°C.

Description of key information

The water solubility determination of test item Tetrabutylammonium hydrogen sulphate (CAS No. 32503-27-8) was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101.The water solubility was determined to be 31102.43 mg/L at 28°C.

Key value for chemical safety assessment

Water solubility:
31 102.43 mg/L
at the temperature of:
28 °C

Additional information

The water solubility determination of test item Tetrabutylammonium hydrogen sulphate (CAS No. 32503-27-8) was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101.The water solubility was determined to be 31102.43 mg/L at 28°C.

WSKOW v1.42 was used to estimate the water solubility of Tetrabutylammonium hydrogen sulphate. The estimated water solubility of Tetrabutylammonium hydrogen sulphate at 25 deg C was 1081 mg/l.

The experimental and estimated values suggests that Tetrabutylammonium hydrogen sulphate is soluble in water.