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Physical & Chemical properties

Water solubility

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Endpoint:
water solubility
Data waiving:
study scientifically not necessary / other information available
Justification for data waiving:
the study does not need to be conducted because the substance is hydrolytically unstable at pH 4, 7 and 9 (half-life less than 12 hours)
Justification for type of information:
JUSTIFICATION FOR DATA WAIVING
In accordance with Column 2 of REACH Annex VII, the study does not need to be conducted if the substance is hydrolytically unstable at pH 4, 7 and 9 (half-life less than 12 hours). The test item undergoes rapid hydrolysis (half-life < 1h) in aqueous to 2-butanone oxime and the corresponding methylsilanetriol. Moreover, silanetriols undergo continuous condensation reactions to produce higher molecular weight siloxanes which are considered biologically unavailable.
Endpoint:
water solubility
Type of information:
other: Handbook peer reviewed.
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Principles of method if other than guideline:
No data provided on the method.
GLP compliance:
not specified
Type of method:
other: no data
Key result
Water solubility:
100 000 mg/L
Remarks on result:
other: (temperature and pH is not provided)
Conclusions:
The solubility of butanone oxime is 100000 mg/L.
Executive summary:

The solubility of butanone oxime is 100000 mg/L.

Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Remarks:
Internationally accepted method, EPI Suite, EPA (USA)
Justification for type of information:
See attached the QMRF and QPRF for the QSAR model.
Principles of method if other than guideline:
Calculation by EPI Suite, EPA (USA) v4.1 / WSKOW v1.42
Type of method:
other: EPI Suite calculation
Key result
Water solubility:
36 630 mg/L
Temp.:
25 °C
Remarks on result:
other: (pH value is not given in EPI Suite calculation)
Conclusions:
The water solubility of 2-butanone, oxime was 36630 mg/L at 25 ºC (EPI Suite, WSKOW v1.42).
Executive summary:

The water solubility of 2-butanone, oxime was 36630 mg/L at 25 ºC (EPI Suite, WSKOW v1.42).

Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Remarks:
Internationally accepted method, EPI Suite, EPA (USA)
Justification for type of information:
See attached the QMRF and QPRF for the QSAR model.
Principles of method if other than guideline:
Calculation by EPI Suite, EPA (USA) v4.1 / WSKOW v1.42
Type of method:
other: EPI Suite calculation
Key result
Water solubility:
1 000 000 mg/L
Temp.:
25 °C
Remarks on result:
other: (pH value is not given in EPI Suite calculation)
Conclusions:
The water solubility of methylsilanetriol was 1000000 mg/L at 25 ºC (EPI Suite, WSKOW v1.42).
Executive summary:

The water solubility of vinylsilanetriol was 1000000 mg/L at 25 ºC (EPI Suite, WSKOW v1.42).

Description of key information

In accordance with Column 2 of REACH Annex VII, the study does not need to be conducted if the substance is hydrolytically unstable at pH 4, 7 and 9 (half-life less than 12 hours). The estimated water solubility of the degradation products were 36630 mg/L for 2-butanone oxime and 1000000 mg/L for vinylsilanetriol (EPI-Suite, WSKOW v1.42).

Key value for chemical safety assessment

Water solubility:
36 630 mg/L

Additional information

In accordance with Column 2 of REACH Annex VII, the study does not need to be conducted if the substance is hydrolytically unstable at pH 4, 7 and 9 (half-life less than 12 hours). The substance undergoes rapid hydrolysis (half-life < 1h) in aqueous to 2-butanone oxime and vinylsilanetriol. Morevoer, the corresponding silanols undergo continuous condensation reactions to produce higher molecular weight siloxanes which are considered biologically unavailable.

The estimated water solubility for the degradation products, 2 -butanone oxime and vinylsilanetriol were 36630 mg/L and 1000000 mg/L (EPI-Suite, WSKOW v1.42). Moreover, according to Verschueren et al (2009) the water solubility of 2 -butanone oxime was reported to be 100000 mg/L.