Hexadecyl dihydrogen phosphate

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

other: assesment of information from sources other than direct experimental study

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Remarks:

EPISuite with additional data from other study reports

Reason / purpose for cross-reference:

reference to other study

Qualifier:

no guideline followed

Principles of method if other than guideline:

1.Using EPISuite calculation: The model used is The Estimation Programs Interface (EPI) Suite developed by the US EPA and the Syracuse Organisation.
The SMILES, MP, BP, VP and estimated partition coefficient has been put through computational modelling to give an estimated water solubility based on structure.
In addition, data from the Partition Coefficient analytical test report – Avomeen Analytical Services (IUCLID 4.7) and the internet have been taken into account.

GLP compliance:

no

Type of method:

other: EPISuite assessment

Water solubility:

< 1 mg/L

Conc. based on:

test mat.

Remarks on result:

not measured/tested

Remarks:

value assessed from EPISuite and other data sources

Conclusions:

EPISuite calculates that the solubility is <1.0 mg/l based on structure and other phys-chem properties. Work carried out by testing laboratories whilst assessing the partition coefficient reported difficulty in solubilising this substance and suggest that the solubility is <2.5 mg/l. Internet values also suggest that the subtance is not water soluble and has a value of <1 mg/l

Reference 2

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

supporting study

Reliability:

3 (not reliable)

Rationale for reliability incl. deficiencies:

significant methodological deficiencies

Qualifier:

equivalent or similar to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Principles of method if other than guideline:

A 5 gram portion of the solid test substance, Cola®Fax CPE Lot 59554J17 was weighed into a glass vial equipped with screw cap. To the vial, deionized water was added, and the vial was shaken gently. The vial was equilibrated for 24 hours at 35°C, with occasional agitation. Dissolution was apparent from the clear aqueous layer in the vial. There was also a quantity of undissolved, solid material within the vial.
The sample vial was equilibrated at 25°C overnight and a sample was removed from the clear aqueous layer. An oven dry-down method (2 grams, 1 hour @ 110 °C) was used to determine the amount of dissolved substance in the sample. The second and third sample were analyzed in the same way on subsequent days.

GLP compliance:

no

Type of method:

flask method

Water solubility:

0.55 other: wt %

Conc. based on:

test mat.

Incubation duration:

24 h

Temp.:

25 °C

pH:

ca. 6

Remarks on result:

not determinable because of methodological limitations

Details on results:

Value quoted is a mean of three results - 0.55, 0.67 and 0.45 % by wt.

Aliquots of sample were taken from the clearest portion of the mixture in the container.  A finely dispersed solid was unavoidably present in the aliquot.  Attempts to filter or centrifuge the sample were unsuccessful.  The results represent an unknown quantity of dispersed solids.

Conclusions:

The test substance was determined to be slightly soluble by the method described here. However, the laboratory had to alter the procedure to get any type of result, and the result is low, but higher than expected from other sources, and there was difficulty in obtaining a reasonable data point. The result obtained is therefore not expected to be reliable and further work has been commissioned.

Description of key information

EPISuite calculates that the solubility is <1.0 mg/l based on structure and other phys-chem properties. Work carried out by testing laboratories whilst assessing the partition coefficient reported difficulty in solubilising this substance and suggest that the solubility is <2.5 mg/l. Internet values also suggest that the subtance is not water soluble and has a value of <1 mg/l

Key value for chemical safety assessment

Water solubility:

1 mg/L

at the temperature of:

25 °C