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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:
30-01-2017 – 03-02-2017
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 Tetrylammonium bromide (CAS No. 71-91-0) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101.
GLP compliance:
not specified
Type of method:
other: spectrophotometric analytical method
Specific details on test material used for the study:
- Name of test material : Tetrylammonium bromide
- IUPAC name: N,N,N-triethylethanaminium b romide
- Molecular formula: C8 H20 N.Br
- Molecular weight: 210.157 g/mol
- Smiles notation: [N+](CC)(CC)(CC)CC.[BrH-]
- InChl : 1S/C8H20N.BrH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1
- Substance type: Organic
- Physical state: Solid crystalline powder (white)
- Purity: 99.23%
Key result
Water solubility:
16 928.616 mg/L
Conc. based on:
test mat.
Temp.:
28 °C
Remarks on result:
other: no additional details mentioned

WATER SOLUBILITY: PRELIMINARY TEST

0.1g of test item was taken in 100 ml beaker. RO 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 0.5 ml RO water. Five times the concentration recoded from preliminary solubility was used for confirmatory study.

WATER SOLUBILITY: CONFIRMATORY TEST

Five times the concentration recorded from preliminary solubility = 200000 mg/L × 5 = 1000000 mg/L was used for confirmatory study. Two separate solution of 20 g in 20 ml RO 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

 

885.8947 mg/L

 

20

 

17717.894 mg/L

 

72 hour

 

806.9669 mg/L

 

20

 

16139.338 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

=(17717.894+16139.338)/2

=16928.616 mg/L

Conclusions:
The water solubility for the test item Tetrylammonium bromide was found to be 16928.616 mg/L at 28°C.
Executive summary:

The water solubility determination of test item Tetrylammonium bromide (CAS No. 71-91-0) was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of (Tetrylammonium bromide of 71-91- 0) in water was found to be 16928.616 mg/L at 28°C.

Hence on the basis of experimental value the given chemical is considered to be very soluble in water.

Description of key information

The water solubility for the test item Tetrylammonium bromide was found to be 16928.616 mg/L at 28°C.

Key value for chemical safety assessment

Water solubility:
16 928.616 mg/L
at the temperature of:
28 °C

Additional information

The water solubility determination of test item Tetrylammonium bromide (CAS No. 71-91-0) was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of (Tetrylammonium bromide of 71-91- 0) in water was found to be 16928.616 mg/L at 28°C.

Other supporting data from handbook and authoritative databases, also determined the the water solubility of Tetrylammonium bromide (CAS No. 71-91-0) as 1000000 mg/L at 25°C and 2795000 mg/L at 25°C.

Hence on the basis of experimental and other obtained values the given chemical is considered to be very soluble in water.