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Solubility in organic solvents / fat solubility

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Reference
Endpoint:
solubility in organic solvents / fat solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
30/12/2014 - 30/12/2014
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
test procedure in accordance with generally accepted scientific standards and described in sufficient detail
Justification for type of information:
Data is from experimental study reports
Qualifier:
according to
Guideline:
other: ASs mentioned below
Principles of method if other than guideline:
Weight of the chemical substance (fat) to dissolve in Organic Solvent to form a homogeneous solution of the solute in the solvent
GLP compliance:
no
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
Medium:
dimethylformamide
Solubility:
200 g/L
Temp.:
25 °C
Remarks on result:
other: very soluble
Key result
Medium:
acetone
Solubility:
> 50 - < 100 g/L
Temp.:
25 °C
Remarks on result:
other: very soluble
Key result
Medium:
acetonitrile
Solubility:
> 10 - < 50 g/L
Temp.:
25 °C
Remarks on result:
other: very soluble
Key result
Medium:
ethanol
Solubility:
> 10 - < 50 g/L
Temp.:
25 °C
Remarks on result:
other: very soluble
Key result
Medium:
methanol
Solubility:
> 10 - < 50 g/L
Temp.:
25 °C
Remarks on result:
other: very soluble
Key result
Medium:
toluene
Solubility:
1 g/L
Temp.:
25 °C
Remarks on result:
other: soluble
Conclusions:
The solubility of the test substance in DMF it was found to be in the range of 200g/l, acetone was found to be in the range of 50-100g/l, whereas in acetonitrile, ethanol and methanol it was found to be in the range of 10-50g/l and the solubility value in toluene was found to be less than 1g/l, respectively at 25°C.
Executive summary:

The solubility determination of test substance4, 4’-bis (dimethylamino)-4’’-(methyl amino) trityl alcohol(CAS No. 561-41-1) in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). The solubility of the test substance in DMF it was found to be in the range of 200g/l, acetone was found to be in the range of 50-100g/l, whereas in acetonitrile, ethanol and methanol it was found to be in the range of 10-50g/l and the solubility value in toluene was found to be less than 1g/l, respectively at 25°C.

Description of key information

The solubility determination of test substance4, 4’-bis (dimethylamino)-4’’-(methyl amino) trityl alcohol(CAS No. 561-41-1) in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). The solubility of the test substance in DMF it was found to be in the range of 200g/l, acetone was found to be in the range of 50-100g/l, whereas in acetonitrile, ethanol and methanol it was found to be in the range of 10-50g/l and the solubility value in toluene was found to be less than 1g/l, respectively at 25°C.

Key value for chemical safety assessment

Solubility in organic solvents at 20°C:
200 g/L

Additional information

The solubility determination of test substance4, 4’-bis (dimethylamino)-4’’-(methyl amino) trityl alcohol(CAS No. 561-41-1) in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). The solubility of the test substance in DMF it was found to be in the range of 200g/l, acetone was found to be in the range of 50-100g/l, whereas in acetonitrile, ethanol and methanol it was found to be in the range of 10-50g/l and the solubility value in toluene was found to be less than 1g/l, respectively at 25°C.

From other experimental report, solubility of 4,4'-bis(dimethylamino)-4''(methylamino)trityl alcohol in methanol at temperature of 30 deg C was found to be 15000mg/L indicating that 4,4'-bis(dimethylamino)-4''(methylamino) trityl alcohol is very soluble in methanol.