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Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
June 19, 2017 - July 4, 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 guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7840 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
11-oxahexadecan-16-olide
EC Number:
222-225-5
EC Name:
11-oxahexadecan-16-olide
Cas Number:
3391-83-1
Molecular formula:
C15H28O3
IUPAC Name:
1,7-dioxacycloheptadecan-8-one
Test material form:
liquid
Specific details on test material used for the study:
Lot No.: VE00441526
Aspect: colourless liquid, may crystallize
Purity: 98.4% (major peak)

Results and discussion

Water solubility
Water solubility:
33.5 mg/L
Temp.:
20 °C
pH:
>= 7 - <= 7.5

Any other information on results incl. tables

TEST RESULTS

The results of the main test are exposed in the table below:

 contact time (hours)  48  72  96  average (72 -96 hours)
 concentration aqueous phase sample A (mg/l)  29.08*  33.12  34.39  33.54
 concentration aqueous phase sample B (mg/l)  28.93*  32.40  34.24  

*not at saturation, not used for calculation of the water solubility

All tabulated values represent rounded-off results obtained by calculations based on the exact raw data. The fourth flask (168h total contact time), foreseen as a back-up, was not analysed as the equilibrium was already reached after 72 h of contact time.

The pH values of the solutions in ultrapure water were pH 7.0 (48 h), pH 7.5 (72 h) and 7.5 (96 h).

Additional peaks present in the chromatograms of the extracts from the aqueous solutions cannot be assigned to impurities / degradation products.

 

COMMENTS AND CONCLUSION

The results in the table above show that there is no significant change of the measured concentrations after 72 h and 96 h. Thus it can be concluded that equilibrium is reached. Thus the results obtained after 72 h and 96 h were averaged, to give the water solubility of Musk R1. After rounding off:

Solubility of Musk R1 in water at 20°C: 33.5 mg/L

Applicant's summary and conclusion

Conclusions:
The results and curves show that there is no significant change of the measured concentrations after 72 h and 96 h. Thus it can be concluded that equilibrium is reached. Thus the results obtained after 72 h and 96 h were averaged, to give the water solubility of Musk R1. After rounding off:

Solubility of Musk R1 in water at 20°C: 33.5 mg/l
Executive summary:

The solubility of Musk R1 in ultrapure water was determined according to the OECD Guideline No. 105 (flask method).

The result is: Solubility in water: 33.5 mg/L at 20°C

This result corresponds to the saturation mass concentration of Musk R1 in ultrapure water at 20°C.