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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:
29/12/2014 - 29/12/2014
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
Data is form experimental study report
Qualifier:
according to
Guideline:
other: Shake Flask Method
Principles of method if other than guideline:
Weight of the chemical substance to dissolve in water to form a homogeneous solution of the solute in the solvent
GLP compliance:
no
Type of method:
other: shake flask method
Specific details on test material used for the study:
- Name of test material: 4,4'-bis(dimethylamino)-4''-(methylamino)trityl alcohol
- Molecular formula: C24H29N3O
- Molecular weight: 375.513
- Smiles: C(c1ccc(cc1)N(C)C)(c1ccc(cc1)N(C)C)(c1ccc (cc1)NC)O
-Inchi: 1S/C24H29N3O/c1-25-21-12-6-18(7-13-21)24 (28, 19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4) 5/h6-17,25,28H,1-5H3

- Substance type: Organic
- Physical state: solid
Key result
Water solubility:
150 mg/L
Conc. based on:
test mat.
Temp.:
22 °C
pH:
7.4
Remarks on result:
other: moderately soluble

Quantity of the Test Substance

(mg or ml)

 

Volume of water to be added

(mL)

Temperature at which the testing performed

(°C)

Procedures undertaken

Water solubility Value / Range

(in mg/L)

pH of test solution

 

 

100mg

 

 

100ml

 

 

22°C

Mechanical Stirring

24Hrs

 

 

150mg/L

 

 

7.4

Membrane Filtration

Yes performed

 

Hot Air Oven Drying/

Air Drying

Performed at temperature of 550C

Conclusions:
The water solubility value for the substance 4,4’-bis(dimethylamino)-4’’-(methyl amino)trityl alcohol was found to be 150 mg/L at 22 degree C.
Executive summary:

The water solubility determination of test substance4,4’-bis(dimethylamino)-4’’-(methyl amino)trityl alcohol. (CAS No. 561-41-1) was done as per the shake flask method. The solubility was found to be 150mg/l at 220C.

Description of key information

The water solubility determination of test substance4,4’-bis(dimethylamino)-4’’-(methyl amino)trityl alcohol. (CAS No. 561-41-1) was done as per the shake flask method. The solubility was found to be 150 mg/l at 220C.

Key value for chemical safety assessment

Water solubility:
150 mg/L
at the temperature of:
22 °C

Additional information

The water solubility determination of test substance4,4’-bis(dimethylamino)-4’’-(methyl amino)trityl alcohol. (CAS No. 561-41-1) was done as per the shake flask method. The solubility was found to be 150mg/l at 220C.

From other experimental report, water solubility of 4,4'-bis(dimethylamino)-4''-(methylamino)trityl alcohol by shake flask method was found to be 130 mg/l at 38 deg C.

From both experimental data, it can be concluded that 4,4'-bis(dimethylamino)-4''-(methylamino)trityl alcohol is moderately soluble in water.