Reaction mass of 1,2,3,4,5,6,7,8-octahydro-5,5-dimethylnaphthalene-2-carbaldehyde and 1,2,3,4,5,6,7,8-octahydro-8,8-dimethyl-2-naphthaldehyde

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Specific details on test material used for the study:

Expiry date: 10-08-2018
Storage: Room temperature and protected from light

Key result

Water solubility:

48 mg/L

Conc. based on:

test mat.

Incubation duration:

96 h

Temp.:

20 °C

pH:

>= 6.94 - <= 7.04

Details on results:

Specificity: The method proved to be specific; in fact it has been verified that blank (Methanol) and matrix solutions do not interfere with the peak of active ingredient.
Linearity: Method Linearity was tested on the active ingredient on 5 different concentration levels from 10 mg/L to 80 mg/L of the theoretical amount of active ingredient in the water solution. All acceptance criteria (R > 0.99 and/or the confidence interval at 95% for the intercept contains zero) were satisfied.
Accuracy: Method accuracy was tested on reconstituted samples prepared at two concentration levels for analyte: 10 mg/L equal to the LOQ level and 40 mg/L, a value slightly lower than the theoretical water solubility obtained with the preliminary test. Six preparations for LOQ and three preparation for 40 mg/L concentration level were prepared. The measured values were compared with the 'expected' value of 100% using the Student's t-test. The acceptance criterion (Recovery active ingredient = 75%-125%, and/or the confidence interval at 95% for the recovery contains 100%) proved to be satisfied.
Precision: Method precision was evaluated on reconstituted samples as relative standard deviation (RSD%) of the recovery values. The experimental RSD% met the acceptance criteria.
Repeatability: Repeatability was obtained injecting the first preparation of LOQ Reconstituted Sample 6 times and is expressed as RSD% of the test results. The method proved to be repeatable.
LOD and LOQ: LOD calculated as the analyte concentration with S/N ratio of 3 on the working standard solutions at 10 mg/L described in the Linearity and Accuracy paragraph and on reconstituted sample at LOQ value. The LOD and LOQ were determined to be 2 and 10 mg/L, respectively.

The results from vessels 1, 2 and 3 (38, 37, and 46 mg/L, respectively) show a tendency of increasing values while rest constant from vessel 3 to vessel 5 (46, 47, 50 mg/L, respctively). For this reason the results of these three last flasks, which did not differ by more than 15%, are averaged.

Description of key information

The water solubility of the test item is 48 mg/L.

Key value for chemical safety assessment

Water solubility:

48 mg/L

at the temperature of:

20 °C