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EC number: 460-110-3 | CAS number: 797751-43-0 WASOX-MMAC2
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Remarks:
- Handbook peer reviewed.
- Principles of method if other than guideline:
- No data on test method.
- GLP compliance:
- not specified
- Type of method:
- other: No data
- Remarks on result:
- other: Very soluble (Numerical values are not provided).
- Conclusions:
- Acetonoxime is very soluble in water.
- Executive summary:
Acetonoxime is very soluble in water. No data provided on test method.
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Remarks:
- Handbook peer reviewed.
- Principles of method if other than guideline:
- No data on test method.
- GLP compliance:
- not specified
- Type of method:
- other: No data
- Remarks on result:
- other: Freely soluble (Numerical values are not provided).
- Conclusions:
- Acetoxime is freely soluble in water.
- Executive summary:
Acetoxime is freely soluble in water. No data provided on test method.
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Remarks:
- A scientific publication peer reviewed. No data on GLP.
- Principles of method if other than guideline:
- No data on the method.
- GLP compliance:
- no
- Water solubility:
- 334 g/L
- Remarks on result:
- other: No data on temperature
- Conclusions:
- Very soluble (> 10000 mg/L).
Acetone oxime is very soluble in water (334 g/L). - Executive summary:
Acetone oxime is very soluble in water (334 g/L).
- 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 acetone oxime and the corresponding silanols. Moreover, these silanols undergo continuous condensation reactions to produce higher molecular weight siloxanes which are considered biologically unavailable. - Reason / purpose for cross-reference:
- data waiving: supporting information
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- According to OECD Guideline 105, with GLP.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- GLP compliance:
- yes
- Type of method:
- other: An experimental determination could not be performed
- Remarks on result:
- other: An experimental determination of the water solubility could not be performed.
- Conclusions:
- An experimental determination of the water solubility test for Wasox-MMAC2 could not be performed. The substance is hydrolytically unstable (Half-life < 1h at 25 ºC).
- Executive summary:
An experimental determination of water solubility of test item Wasox-MMAC2 according to OECD Guideline 105 could not be performed, because:
1) the test substance rapidly degrades with a half-life time of <1 hour at 25°C, see separate report on the hydrolysis (endpoint record: SNIF#001 -5.2.21 -01) and,
2) the test substance is a mixture of several compounds for which the guidelines do not apply. Also an estimation by checking the solutions visually for undissolved particles was not possible, as an insoluble polymer is formed.
- 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
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- Meylan, W.M. P.H. Howard and R.S. Boethling. 1996. Improved method for estimating water solubility from octanol/water partition coefficient. Environ. Toxicol. Chem. 15: 100-106.
- Specific details on test material used for the study:
- SMILES: CO[Si](C)(O)OC
- Water solubility:
- 1 000 000 mg/L
- Temp.:
- 25 °C
- Remarks on result:
- other: QSAR predicted value (pH value is not given in EPI Suite calculation)
- Conclusions:
- Very soluble (> 10000 mg/L)
The water solubility of the test item was 1000000 mg/L at 25 ºC (EPI Suite, WSKOW v1.42). - Executive summary:
The water solubility of the test item was 1000000 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
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- Meylan, W.M. P.H. Howard and R.S. Boethling. 1996. Improved method for estimating water solubility from octanol/water partition coefficient. Environ. Toxicol. Chem. 15: 100-106.
- Specific details on test material used for the study:
- SMILES: CO[Si](C)(O)O
- Water solubility:
- 1 000 000 mg/L
- Temp.:
- 25 °C
- Remarks on result:
- other: QSAR predicted value (pH value is not given in EPI Suite calculation)
- Conclusions:
- Very soluble (> 10000 mg/L).
The water solubility of the test item was 1000000 mg/L at 25 ºC (EPI Suite, WSKOW v1.42). - Executive summary:
The water solubility of the test item was 1000000 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
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- Meylan, W.M. P.H. Howard and R.S. Boethling. 1996. Improved method for estimating water solubility from octanol/water partition coefficient. Environ. Toxicol. Chem. 15: 100-106.
- Specific details on test material used for the study:
- SMILES: [Si](O)(O)(O)C
- Water solubility:
- 1 000 000 mg/L
- Temp.:
- 25 °C
- Remarks on result:
- other: QSAR predicted value (pH value is not given in EPI Suite calculation)
- Conclusions:
- Very soluble (> 10000 mg/L)
The water solubility of the test item was 1000000 mg/L at 25 ºC (EPI Suite, WSKOW v1.42). - Executive summary:
The water solubility of the test item was 1000000 mg/L at 25 ºC (EPI Suite, WSKOW v1.42).
Referenceopen allclose all
Acetonoxime is very soluble in water.
Acetoxime is freely soluble in water.
An experimental determination of the water solubility could not be performed, because:
1) the test substance rapidly degrades with a half-life time of <1 hour at 25°C, see separate report on the hydrolysis (endpoint record: SNIF#001 -5.2.21 -01) and,
2) the test substance is a mixture of several compounds for which the guidelines do not apply. Also an estimation by checking the solutions visually for undissolved particles was not possible, as an insoluble polymer is formed.
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 334 mg/L for acetone oxime (Rosene et al. 1976) and 1000000 mg/L for silanols (EPI-Suite, WSKOW v1.42).
Key value for chemical safety assessment
- Water solubility:
- 334 g/L
Additional information
Data waiving (study technically not feasible): 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 acetone oxime and the corresponding silanols. Morevoer, these silanols, i.e. dimethoxymethylsilanol, methoxymethylsilanediol and methylsilanetriol, undergo continuous condensation reactions to produce higher molecular weight siloxanes which are considered biologically unavailable.
The estimated water solubility for the degradation products acetone oxime and silnaols were 334 g/L (Rosene et al. 1976) and 1000000 mg/L (EPI-Suite, WSKOW v1.42) respectively. Moreover, according to several Handbooks per review acetone oxime is determined to be very soluble.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
