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Diss Factsheets

Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
July 2013
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: This study has been performed according to OECD and/or EC guidelines and according to GLP principles.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2013
Report date:
2013

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
Tert-butyl 3-oxoazetidine-1-carboxylate
EC Number:
627-725-0
Cas Number:
398489-26-4
Molecular formula:
C8H13NO3
IUPAC Name:
Tert-butyl 3-oxoazetidine-1-carboxylate
Test material form:
solid: particulate/powder
Remarks:
migrated information: powder
Details on test material:
Batch Nr : RC10050008
Purity : 99,4 % (w/w)
Test substance storage : at room temperature, protected from light
Stability : stable under storage conditions
Expiry date : 22 June 2013

Results and discussion

Water solubilityopen allclose all
Water solubility:
ca. 18 000 mg/L
Temp.:
19.6 °C
pH:
ca. 6
Water solubility:
ca. 17 100 mg/L
Temp.:
19.6 °C
pH:
5.7
Water solubility:
ca. 17 100 mg/L
Temp.:
19.6 °C
pH:
6

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): very soluble (> 10000 mg/L)
The water solubility of PAM-Azetidinone, calculated as the mean value of the 3 determinations, is 17 400 mg/l.
Executive summary:

The initially added amount of test substance was 50 g per litre deionised water. The measured concentrations after filtration by 0.45 μm cellulose acetate membrane sterile syringe filters were as follows:

18’000 mg/l after 96 h (i.e. 72 h at 31.0 ± 0.5°C and 24 h at 19.6 ± 0.6°C), pH 6.0

17’100 mg/l after 120 h (i.e. 96 h at 31.0 ± 0.5°C and 24 h at 19.6 ± 0.6°C), pH 5.7

17’100 mg/l after 144 h (i.e. 120 h at 31.0 ± 0.5°C and 24 h at 19.6 ± 0.6°C), pH 6.0

The water solubility of PAM-Azetidinone, calculated as the mean value of the three determinations, is 17’400 mg/l.

The test is valid, since the concentrations of at least the last 2 vessels do not differ by more than 15%.