Hexadecyltrimethylammonium toluene-p-sulphonate

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

1-8-2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

comparable to guideline study

Justification for type of information:

Cetrimonium tosylate (CETATS) is the salt of Toluene-4-sulphonic acid and Tricetylmethyl ammonium chloride (cetrimonium chloride). In aqueous media the salt dissociates, demonstrating behaviour that would make testing for toxicological and ecotoxocoocal endpoints unfeasible. It is noted that, when added to water the substance has a tendency to form 'lumps of jelly' similar to walpaper paste, and that it strongly adheres to the sides of glass containers. It is described in laboratory reports as a 'sticky'material. A document, containing illustrations, outlining the dissociation behaviour of the substance is attached here under section 4.8 - water solubility. Please refer to this document for a detailed discussion of CETATS chemical behaviour.

Qualifier:

equivalent or similar to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

not specified

GLP compliance:

not specified

Type of method:

flask method

Specific details on test material used for the study:

Sample Name: CETATS
Batch no: 99D1100U
Date of manufacture: 24/4/2017
Sample Purity: 100.3%
Date of analysis: 12/6/2016

Water solubility:

0.2 vol%

Conc. based on:

test mat.

Temp.:

25 °C

pH:

7

Water solubility:

1 vol%

Conc. based on:

test mat.

Temp.:

40 °C

pH:

7

Conclusions:

CETATS is soluble in water at 0.05% at 20 °C. It is insolube at 0.10% and above at 20% following 15 minutes stirring.

CETATS has a tendency to form 'lumps of jelly' similar to wallpaper paste, therefore the higher concentration mixtures require higher temperatures and extended stirring times to dissolve the CETATS.

As this is an obervational test it does not directly measure the dissociation of CETATS into its repective ions - Toluene-4-sulphonic acid and Cetrimonium chloride. As discussed uner 'Assessment Entities' section the jelly like structures are most likely the result of stable detergent micelles of cetrimonium.

Description of key information

CETATS is soluble in water at 0.05% at 20 °C. It is insolube at 0.10%  and above at 20% following 15 minutes stirring.

CETATS has a tendency to form 'lumps of jelly' similar to wallpaper paste, therefore the higher concentration mixtures require higher temperatures and extended stirring times to dissolve the CETATS.

As this is an obervational test it does not directly measure the dissociation of CETATS into its repective ions - Toluene-4-sulphonic acid and Cetrimonium chloride. As discussed uner 'Assessment Entities' section the jelly like structures are most likely the result of stable detergent micelles of cetrimonium.