A mixture of: propan-2-one-O,O'(methoxyvinylsilandiyl)dioxime; propan-2-one-O-(dimethoxyvinylsilyl)oxime; propan-2-one-O,O',O''-(vinylsilantriyl)trioxime

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2005-04-21

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

Key result

Remarks on result:

not determinable

Remarks:

The test substance rapidly degrades with a half-life time of <1 hour at 25 °C

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 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.

Conclusions:

An experimental determination of the water solubility could not be performed.

Executive summary:

An experimental determination of the water solubility test for the test material could not be performed, because: 1) the test substance rapidly degrades with a half-life time of <1 hour at 25 °C. Also an estimation by checking the solutions visually for undissolved particles was not possible, as an insoluble polymer is formed.

Reference 2

Endpoint:

water solubility

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Study period:

2005-04-21

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 QSAR supporting information

Principles of method if other than guideline:

Calculation by EPI Suite v.3.12 U.S. Environmental Protection Agency. Programme WSKOWIN v1.41.

Specific details on test material used for the study:

SMILES of components:
acetone O,O'-[methoxy(vinyl)silanediyl]oxime (VMAC2): CC( C)= NO[Si] (/C([H])=C([H])\[H])( OC)O N =C( C)C
acetone O,O',O''-(vinylsilanetriyl)oxime (VAC3): CC( C)= NO[Si] (/C( [H] )=C([H] )\[H]) (0 N=C( C)C)O N=C( C )C
acetone O-[dimethoxy(vinyl)silyl]oxime (VM2AC): CC(C)=NO[Si](/C([H])=C([H])\[H]) (OC)OC

Water solubility:

0.408 mg/L

Remarks on result:

other: acetoneO,O'-[methoxy(vinyl)silanediyl]oxime

Water solubility:

0.001 mg/L

Remarks on result:

other: acetoneO,O',O''-(vinylsilanetriyl)oxime

Water solubility:

248 mg/L

Remarks on result:

other: acetoneO-[dimethoxy(vinyl)silyl]oxime

The calculated water solubilities at 25 °C were:

acetoneO,O'-[methoxy(vinyl)silanediyl]oxime: 0.408 mg/L

acetoneO,O',O''-(vinylsilanetriyl)oxime: 0.00065 mg/L

acetoneO-[dimethoxy(vinyl)silyl]oxime: 248 mg/L

Conclusions:

The calculated water solubilities for the 3 main components of the test substance, at 25 °C were: acetone O,O'-[methoxy(vinyl)silanediyl]oxime: 0.408 mg/L, acetone O,O',O''-(vinylsilanetriyl)oxime: 0.00065 mg/L and acetone O-[dimethoxy(vinyl)silyl]oxime: 248 mg/L.

Executive summary:

Using the Programme WSKOWIN v1.41 of the U.S. Environmental Protection Agency, the calculated water solubilities for the 3 main components of the test substance at 25 °C were: acetoneO,O'-[methoxy(vinyl)silanediyl]oxime: 0.408 mg/L,acetoneO,O',O''-(vinylsilanetriyl)oxime: 0.00065 mg/L and acetoneO-[dimethoxy(vinyl)silyl]oxime: 248 mg/L.

Reference 3

Endpoint:

water solubility

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Study period:

2005-04-21

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)

Principles of method if other than guideline:

Calculation by EPI Suite v.3.12 U.S. Environmental Protection Agency. Programme WATERNT v1.01

Specific details on test material used for the study:

SMILES of components:
acetone O,O'-[methoxy(vinyl)silanediyl]oxime (VMAC2): CC( C)= NO[Si] (/C([H])=C([H])\[H])( OC)O N =C( C)C
acetone O,O',O''-(vinylsilanetriyl)oxime (VAC3): CC( C)= NO[Si] (/C( [H] )=C([H] )\[H]) (0 N=C( C)C)O N=C( C )C
acetone O-[dimethoxy(vinyl)silyl]oxime (VM2AC): CC(C)=NO[Si](/C([H])=C([H])\[H]) (OC)OC

Water solubility:

122 mg/L

Remarks on result:

other: acetoneO,O'-[methoxy(vinyl)silanediyl]oxime

Water solubility:

0.244 mg/L

Remarks on result:

other: acetoneO,O',O''-(vinylsilanetriyl)oxime

Water solubility:

0.001 mg/L

Remarks on result:

other: acetoneO-[dimethoxy(vinyl)silyl]oxime

The calculated water solubilities at 25 °C were:

acetoneO,O'-[methoxy(vinyl)silanediyl]oxime: 122 mg/L

acetoneO,O',O''-(vinylsilanetriyl)oxime: 0.244 mg/L

acetoneO-[dimethoxy(vinyl)silyl]oxime: 5.92 x10⁴mg/L

Conclusions:

The calculated water solubilities for the 3 main components of the test substance, at 25 °C were: acetone O,O'-[methoxy(vinyl)silanediyl]oxime: 122 mg/L, acetone O,O',O''-(vinylsilanetriyl)oxime: 0.244 mg/L and acetone O-[dimethoxy(vinyl)silyl]oxime: 5.92x10 exp4 mg/L.

Executive summary:

Using the Programme WATERNT v 1.01 of the U.S. Environmental Protection Agency, the calculated water solubilities for the 3 main components of the test substance at 25 °C were: acetone O,O'-[methoxy(vinyl)silanediyl]oxime: 122 mg/L, acetone O,O',O''-(vinylsilanetriyl)oxime: 0.244 mg/L and acetone O-[dimethoxy(vinyl)silyl]oxime: 5.92x10 ⁴ mg/L.

Description of key information

An experimental determination of the water solubility test for the test material could not be performed. Instead, softwares WSKOWIN v1.41 and WATERNT v 1.01 (EPI Suite v3.12 program) were used to calculate the water solubility for their 3 main components. The water solubility of the test substance was selected to be 6.5E-4 based on the worst case scenario.

Key value for chemical safety assessment

Water solubility:

0.001 mg/L

at the temperature of:

25 °C

Additional information

An experimental determination of the water solubility test for the test material could not be performed, because: 1) the test substance rapidly degrades with ahalf-life time of <1 hour at 25 °C. Also an estimation by checking the solutions visually for undissolved particles was not possible, as an insoluble polymer is formed.

Using the Programme WSKOWIN v1.41, the calculated water solubilities for the 3 main components of the test substance at 25 °C were:acetoneO,O'-[methoxy(vinyl)silanediyl]oxime: 0.408 mg/L,acetoneO,O',O''-(vinylsilanetriyl)oxime: 0.00065 mg/L and acetoneO-[dimethoxy(vinyl)silyl]oxime: 248 mg/L.

Using the Programme WATERNT v 1.01 of the U.S. EPA, the calculated water solubilities for the 3 main components of the test substance at 25 °C were:acetone O,O'-[methoxy(vinyl)silanediyl]oxime: 122 mg/L, acetone O,O',O''-(vinylsilanetriyl)oxime: 0.244 mg/L and acetone O-[dimethoxy(vinyl)silyl]oxime: 5.92x104 mg/L.