Reaction product of acid red 143 (free acid) or the respective sodium salt (e.g Lansyn red F-5B) (UVCB) with Tetrabutylammonium bromide (CAS nr.: 1643-19-2) resulting in a mixture of AR143-(TBN)2 (Main component), AR143-(TBN), AR143-(TBN)3, AR143-(TBN) without alkyl tail, AR143-(TBN)2 without alkyl tail.Chemical name main component AR143-(TBN)2:di-(tetra-n-butylammonium) salt of 1-benzoyl-4-[4'-(1'',1''-dimethylpropyl)-phenoxy]-6-phenylamino-2,7-dioxo-2,7-dihydro-3H-naphtho(1,2,3-de)quinolin, disulfonic acid

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

01/02/2017 – 23/02/2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2017

Report date:

2017

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

EU Regulation (EC) 440/2008, Annex Part A test A6

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

GLP compliance:

yes (incl. QA statement)

Other quality assurance:

other: QA SOP 010

Remarks:

The procedure of the determination of whether the study live phase is audited by the QA unit is set out in QA SOP 010 and is determined at the time the QA unit receives study notification.

Type of method:

flask method

Test material

Test material information

1

Reference substance name:

Reaction product of acid red 143 (free acid) or the respective sodium salt (e.g Lansyn red F-5B) (UVCB) with Tetrabutylammonium bromide (CAS nr.: 1643-19-2) resulting in a mixture of AR143-(TBN)2 (Main component), AR143-(TBN), AR143-(TBN)3, AR143-(TBN) without alkyl tail, AR143-(TBN)2 without alkyl tail. Chemical name main component AR143-(TBN)2: di-(tetra-n-butylammonium) salt of 1-benzoyl-4-[4'-(1'',1''-dimethylpropyl)-phenoxy]-6-phenylamino-2,7-dioxo-2,7-dihydro-3H-naphtho(1,2,3-de)quinolin, disulfonic acid

EC Number:

944-248-6

Molecular formula:

Combinations of mono (C40H31N2O7S1) bi (C40H30N2O10S2) and trivalent (C40H29N2O13S3) AR143 with TBN (C16H36N+)

IUPAC Name:

Reaction product of acid red 143 (free acid) or the respective sodium salt (e.g Lansyn red F-5B) (UVCB) with Tetrabutylammonium bromide (CAS nr.: 1643-19-2) resulting in a mixture of AR143-(TBN)2 (Main component), AR143-(TBN), AR143-(TBN)3, AR143-(TBN) without alkyl tail, AR143-(TBN)2 without alkyl tail. Chemical name main component AR143-(TBN)2: di-(tetra-n-butylammonium) salt of 1-benzoyl-4-[4'-(1'',1''-dimethylpropyl)-phenoxy]-6-phenylamino-2,7-dioxo-2,7-dihydro-3H-naphtho(1,2,3-de)quinolin, disulfonic acid

Test material form:

solid

Details on test material:

- Stabilisation: stable
- Safety precautions: The routine hygienic procedures were sufficient to assure personnel health and safety
- Colour: brownish red
- Storage conditions: room temperature

Results and discussion

Water solubility

Key result

Water solubility:

2.067 g/L

Temp.:

20 °C

pH:

6.67

Any other information on results incl. tables

The peak area of the di-sulfonic acid (Retention time approximately 4.2 minutes) was used for the water solubility determination. The analysis was carried out with duplicate injections of samples prepared from each flask and the corresponding mean peak area calculated.

As the test sample was also used for the calibration, an assumption was made that all components present had the same extinction coefficient and no undetectable components were present. The purity for the product was taken as the mean of six replicates prepared at the 100% level of the calibration.

It was noted that after the shaking period only a small amount of sample remained undissolved in the flask. As a consequence a second set of test samples were prepared at a concentration of 12 g/L. Analysis of the 12 g/L samples gave inconsistent and lower results (Day 1 - 1.72 g/L, Day 2 – 1.19 g/L and Day 3 - 1.21 g/L) than those obtained for the samples prepared at 2.5 g/L. The implication being that at varying sample concentrations, the chromatographic profile changes. The change in chromatographic profile may be due to the multicomponent nature of the product.

Applicant's summary and conclusion

Conclusions:

Mean water solubility (gL-1): 2.067

Executive summary:

Comment:

The peak area of the di-sulfonic acid (Retention time approximately 4.2 minutes) was used for the water solubility determination. The analysis was carried out with duplicate injections of samples prepared from each flask and the corresponding mean peak area calculated.

As the test sample was also used for the calibration, an assumption was made that all components present had the same extinction coefficient and no undetectable components were present. The purity for the product was taken as the mean of six replicates prepared at the 100% level of the calibration.

It was noted that after the shaking period only a small amount of sample remained undissolved in the flask. As a consequence a second set of test samples were prepared at a concentration of 12 g/L. Analysis of the 12 g/L samples gave inconsistent and lower results (Day 1 - 1.72 g/L, Day 2 – 1.19 g/L and Day 3 - 1.21 g/L) than those obtained for the samples prepared at 2.5 g/L. The implication being that at varying sample concentrations, the chromatographic profile changes. The change in chromatographic profile may be due to the multicomponent nature of the product.