isostearic acid monoisopropanolamide

Dissociation constant

Administrative data

Endpoint:

dissociation constant

Data waiving:

study technically not feasible

Justification for data waiving:

the study does not need to be conducted because the substance has no ionic structure

Justification for type of information:

The test substance is poorly soluble in water.

Cross-reference

Cross-reference 1

Reason / purpose for cross-reference:

data waiving: supporting information

Reference

Endpoint:

water solubility

Remarks:

Critical micelle concentration (CMC)

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study without detailed documentation

Justification for type of information:

The critical micelle concentration (CMC) is considered more appropriate for chemicals with surface-active properties.

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

not specified

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

not specified

GLP compliance:

not specified

Type of method:

other: determination of critical micelle concentration (CMC)

Key result

Water solubility:

8.5 mg/L

Conc. based on:

other: CMC

Remarks on result:

other: no further details

Conclusions:

Under the study conditions, the water solubility (CMC) of the test substance was determined to be 8.5 mg/L.

Executive summary:

A study was conducted to determine the water solubility of the test substance according to OECD Guideline 105 and EU Method A.6. In a previous experiment with the shake flask method, the water solubility was determined to be below the limit of quantification (<3.46 × 10 ^-3 g/L) (Tognucci, 1999). The critical micelle concentration (CMC) was therefore considered to be more appropriate for this test substance which presents surface-active properties. A study by inverse CMC measurement (plate method) was conducted, and the CMC was calculated by plotting surface tension against concentration. Under the study conditions, the water solubility (CMC) of the test substance was determined to be 8.5 mg/L (RCC, 1999).

Cross-reference 2

Reason / purpose for cross-reference:

data waiving: supporting information

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

supporting study

Study period:

From April 26, 1999 to June 07, 1999

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Specific details on test material used for the study:

Batch no.: E 16734
Purity: 100%
Appearance: liquid to paste

Key result

Water solubility:

< 3.46 mg/L

Conc. based on:

test mat.

Loading of aqueous phase:

160 other: mg in 50 mL

Incubation duration:

72 h

Temp.:

20 °C

pH:

5

Remarks on result:

other: below the limit of determination

Details on results:

The quantification of the test substance amount was limited by the LOQ (limit of quantification) which was 3.46 mg/L during this study. The test substance could not be detected in any of the equilibrated samples. In conclusion, the water solubility of the test substance at 20°C +/- 0.5°C was determined to be below the limit of determination which was ca. 3.46 mg/L.

Conclusions:

Under the study conditions, the water solubility of the test substance was below the limit of determination which was ca. 3.46 mg/L, at 20°C (flask method).

Executive summary:

A study was conducted to determine the water solubility of the test substance according to OECD Guideline 105 and EU Method A.6 (flask method), in compliance with GLP. About 160 mg of test substance was weighed into each of 6 Erlenmeyer flasks and 50 mL of water were added to each flask. The tightly closed flasks were shaken at about 30°C for 24, 48 and 72 h, respectively. Afterwards, the flasks were equilibrated for another 24 h at 20 +/- 0.5°C. The supernatant solutions were centrifuged (-2900 g), filtered (0.45 µm) and measured without dilution. The quantification was performed using a HPLC method. The quantification of the test substance was limited by the LOQ (limit of quantification) which was 3.46 mg/L. The test substance could not be detected in any of the equilibrated samples. In conclusion, under the study conditions, the water solubility of the test substance at 20°C +/- 0.5°C was determined to be below the limit of determination which was ca. 3.46 mg/L (Tognucci, 1999).