Bis[4-(tert-butyl)benzoato-O]hydroxyaluminium

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2018-04-18 - 2018-05-18 (experimantal phase)

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

test procedure in accordance with generally accepted scientific standards and described in sufficient detail

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)

Version / remarks:

A log Pow was calculated based on the water and n-Octanol solubility data as is suggested by OECD TG 107 for substance that cannot be assessed by other methods.

Deviations:

not applicable

Test guideline 2

Qualifier:

according to guideline

Guideline:

other: pre-test OECD 105

Version / remarks:

The solubility of the test substance in water and n-Octanol were performed separately by visual assessment via turbidity determination by spectrophotometer according to the preliminary test from OPPTS 830,7840 and OECD TG 105.

Deviations:

not applicable

GLP compliance:

yes

Type of method:

estimation method (solubility ratio)

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

Bis[4-(tert-butyl)benzoato-O]hydroxyaluminium

EC Number:

236-109-7

EC Name:

Bis[4-(tert-butyl)benzoato-O]hydroxyaluminium

Cas Number:

13170-05-3

Molecular formula:

C22H27AlO5

IUPAC Name:

aluminum hydroxide bis(4-tert-butylbenzoate)

Test material form:

solid: particulate/powder

Results and discussion

Partition coefficient

Type:

log Pow

Partition coefficient:

0.27

Temp.:

25 °C

Remarks on result:

other: no information on pH availabke

Applicant's summary and conclusion

Conclusions:

The solubility of the test item in water and n-octanol was determined separately by visual assessment via turbidity determination by spectrophotometer according to the pretest from OECD 105 (GLP) and OPPTS 830,7840. The log Pow was calculated from these two values as suggested by OECD TG 107 for substance that cannot be assessed by other methods. Test procedure is in accordance with generally accepted scientific standards and described in sufficient detail and therefore, reliability of Klimisch 1 has been assigned. The log Pow of the test item was determined to be 0.27 at 25 °C.

Executive summary:

For the test item the partition coefficient was not determined instrumentally according to the Guidelines OECD 107 or 117 due to extremly low solubilities in water and octanol. The partition coefficient was calculated based on experimental data as follows: The solubility of the test item in water and n-octanol was determined separately by visual assessment via turbidity determination by spectrophometer according to the pretest from OECD 105 (GLP). The log Pow was calculated from these two values as suggested by OECD 107.

Accordingly, the log Pow of the test item was determined to be 0.27 at 25 °C.