A mixture of: propan-2-one-O,O'-(methoxymethylsilandiyl)dioxime; propan-2-one-O-(dimethoxymethylsilyl)oxime; propan-2-one-O,O',O''-(methylsilantriyl)trioxime

Boiling point

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

February 16, 2005

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

According to OECD Guideline 103 with GLP.

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling point/boiling range)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Deviations:

no

GLP compliance:

yes

Type of method:

method according to Siwoloboff

Key result

Boiling pt.:

ca. 205 °C

Atm. press.:

98.65 kPa

Decomposition:

yes

Remarks:

(indicated by change of colour)

Decomp. temp.:

190 °C

Remarks on result:

other: No boiling temperature could be determined. The decomposed test substance boiled from about 205°C on.

The colour of the test substance changed from yellowish to yellowish-brown at 190°C, to brown at 205°C, to dark brown at 215°C and to black at approximately 230°C. At about 205°C the test substance started boiling and bubbles emerged rapidly from the lower open end of the capillary. Between 205°C and 230°C the test substance boiled but on momentary cooling the liquid did not rise in the capillary. Identical observations were made in both samples. No boiling temperature could be determined.

Conclusions:

Wasox-MMAC2 decomposed before and during boiling. Decomposition was indicated by change of colour starting at about 190°C. The decomposed test substance boiled from about 205°C on.

Executive summary:

A study to determine the boiling temperature of test substance Wasox-MMAC2 was performed according to OECD Guideline 103 (test method according to Siwoloboff). No boiling point could be determined. The test substance decomposed before and during boiling. Decomposition was indicated by change of colour starting at about 190°C. The decomposed test substanceboiledfrom about 205°C on.

Reference 2

Endpoint:

boiling point

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Study period:

February 16, 2005

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 atom/fragment contribution method using the software MPBPWIN Version v. 1.41 2000, of the U.S. Environmental Protection Agency

Specific details on test material used for the study:

SMILES of components:
MMAC2: CC( C)=N O[Si] (C)( OC )ON=C( C )C
MAC3: CC( C)=NO[Si] (C)( 0 N=C( C)C)O N=C( C )C
MM2AC: CC(C)=NO[Si](C)(OC)OC.

Boiling pt.:

233.1 °C

Remarks on result:

other: Propan-2-one-O,O'-(methoxymethylsilandiyl) dioxime

Boiling pt.:

286.8 °C

Remarks on result:

other: Propan-2-one-O,O',O''-(methylsilantriyl)trioxime

Boiling pt.:

170.3 °C

Remarks on result:

other: Propan-2-one-O-(dimethoxymethylsilyl)oxime

The calculated boiling temperatures of the three main components are in approximate agreement with the experimentally determined results.

Conclusions:

Using the software MPBPWIN Version v1.4 2000, of the U.S. Environmental Protection Agency the calculated boiling temperatures of the three main components of the test substance were: 170.3 ºC for Propan-2-one-O-(dimethoxymethylsilyl)oxime; 233.1 ºC for Propan-2-one-O,O'-(methoxymethylsilandiyl) dioxime and 286.8 ºC for Propan-2-one-O,O',O''-(methylsilantriyl)trioxime.

Executive summary:

Using the software MPBPWIN Version v1.4 2000, of the U.S. Environmental Protection Agency the calculated boiling temperatures of the three main components of the test substance were: 170.3 ºC for Propan-2-one-O-(dimethoxymethylsilyl)oxime; 233.1 ºC for Propan-2-one-O,O'-(methoxymethylsilandiyl) dioxime and 286.8 ºC for Propan-2-one-O,O',O''-(methylsilantriyl)trioxime.

Description of key information

Key study: OECD Guideline 103 and GLP. The test substance decomposed before and during boiling. Decomposition was indicated by change of colour starting at about 190°C. The decomposed test substance boiled from about 205°C on.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:

205 °C

Additional information

Key study: A study to determine the boiling temperature of test substance Wasox-MMAC2 was performed according to OECD Guideline 103 and GLP. The test substance decomposed before and during boiling. Decomposition was indicated by change of colour starting at about 190°C. The decomposed test substance boiled from about 205°C on.

Supporting study: Using the software MPBPWIN Version v1.4 2000, of the U.S. Environmental Protection Agency the calculated boiling temperatures of the three main components of the test substance were: 170.3 ºC for Propan-2-one-O-(dimethoxymethylsilyl)oxime; 233.1 ºC for Propan-2-one-O,O'-(methoxymethylsilandiyl) dioxime and 286.8 ºC for Propan-2-one-O,O',O''-(methylsilantriyl)trioxime.