Butanedioic acid, sulfo-, 4-[2-[(2-hydroxyethyl)amino]ethyl] ester, N-C18-unsatd. acyl derivs., disodium salts

Solubility in organic solvents / fat solubility

Administrative data

Endpoint:

solubility in organic solvents / fat solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2012

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Study according to OECD 105, good documentation.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2013

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: OECD 105

GLP compliance:

no

Test material

Test material information

Constituent 1

Reference substance name:

Reaction product of C18 unsatd. fatty acid diethanolamide and maleic anhydride, sulphonated, sodium salt

IUPAC Name:

Reaction product of C18 unsatd. fatty acid diethanolamide and maleic anhydride, sulphonated, sodium salt

Test material form:

solid: particulate/powder

Remarks:

migrated information: powder

Details on test material:

- Name of test material (as cited in study report): Butanedioic acid, sulfo-, 4-[2-[(2-hydroxyethyl)amino]ethyl] ester, N-C18-unsatd. acyl derivs., disodium salts
Lot/Batch number: FL21-22-RS
CAS number: 97862-28-7

Results and discussion

Solubility in organic solvents / fat solubility

Medium:

n-octanol

Solubility:

47.8 other: percent

Temp.:

20 °C

Remarks on result:

other: The more hydrophilic constituents of the test item, which elute first, were almost insoluble in n-octanol. The more hydrophobic constituents, which eluted later from the column, were in contrast soluble.

Test substance stable:

yes

Any other information on results incl. tables

Table 1 results

 

Experiment	Nominal saturation concentration (g/L)	n-Octanol solubility, Results (g/L)	Recovery (% of nominal)
1	0.45	0.25	56%
	0.75	0.39	52%
	1.5	0.7	47%
2	7.5	3.6	48%
	10	4.1	41%
	15	7.9	53%
	25	10.4	42%
3	780	355	46%

 

The results of the n-octanol solubility given in the table above show that no concentration plateau is achieved. Hence, the n-octanol solubility does not dependent on the nominal saturation concentration.

The comparison of the chromatograms of the calibration solution and test solution showes, that the more hydrophilic constituents of the test item, which elute first, are almost unsoluble in n-octanol. The more hydrophobic constituents, which elute later from the column, are in contrast soluble.

The n-Octanol solubility of Butanedioic acid, sulfo-, 4-[2-[(2-hydroxyethyl)amino]ethyl] ester, N-C18-unsatd. acyl derivs., disodium salts is dependent on the nominal concentration which was weighed. In the arithmetic mean 47.8 % of the nominal concentration is solved in n- Octanol. The standard deviation is about 5%.

 

The n-Octanol solubility was determined at 20 °C. pH value cannot be indicated, as pH is only defined for aqueous solutions, not for octanol solutions.

Applicant's summary and conclusion

Executive summary:

In the non-GLP Klimisch 1 study from Frischmann (2012) the octanol solubility of Butanedioic acid, sulfo-, 4-[2-[(2-hydroxyethyl)amino]ethyl] ester, N-C18-unsatd. acyl derivs., disodium salts was determined following the method as outlined in the OECD 105. Instead of water, octanol was used.

The results of the n-octanol solubility that no concentration plateau is achieved within the nominal concentration range of 0.45 to 780 mg/L. The octanol solubility at 20°C was determined to be 47.8% at nominal concentrations ranging from 0.45 to 780 mg/L. The comparison between the chromatograms of the calibration solutions and test solutions showed, that the more hydrophilic constituents of the test item, which elute first, were almost insoluble in n-octanol. The more hydrophobic constituents, which eluted later from the column, were in contrast soluble.

 

Therefore, the n-Octanol solubility of Butanedioic acid, sulfo-, 4-[2-[(2-hydroxyethyl)amino]ethyl] ester, N-C18-unsatd. acyl derivs., disodium salts is proportional to the nominal concentration in the range from 0.45 to 780 g/L. In the arithmetic mean 47.8 % of the nominal concentration is solved in n- Octanol.

This value is considered relevant an reliable for the risk assessment.