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

Melting point / freezing point

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From February 16, 2005 to February 17, 2005.

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

According to OECD Guideline 102 with GLP.

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Deviations:

no

GLP compliance:

yes

Type of method:

other: Determination of the freezing temperature and capillary method.

Key result

Melting / freezing pt.:

> -35 - < 33 °C

Remarks on result:

other: Combined experimentally determined melting/freezing range.

Test A) Determination of the freezing temperature:

Three samples of the test substance started freezing at -3.5, -5.5 and -6.0 °C respectively. At these temperatures a sharp rise of the temperature was observed up to ca. +10 °C, an indication of the presence of an undercooled liquid. The solid content increased with decreasing temperature and the test substance was predominantly but not completely solid at -35°C.

Test B) Melting point:

The results of the 3 repeat determinations of the melting temperature for the test substance were 33.0 ºC in each case. 33 ºC is the temperature at which the whole test substance became liquid.

Conclusions:

The combined experimentally determined melting / freezing range is < -35°C to + 33 ºC.

Executive summary:

A study was to determine the melting/freezing temperature of the test substance Wasox-MMAC2 was performed according to OECD Guideline 102. The test substance was obtained as a two-phase mixture of solid and liquid parts. The test substance was heated to ca. 40°C to liquefy it and to enable a homogenous portioning. After cooling to room temperature the test substance remained liquid, indicating that the solid part also can exist as an undercooled liquid.

Two different tests were performed:

A) Determination of the freezing temperature of the liquid test substance according to ISO 1392:

Three samples of the test substance started freezing at -3.5, -5.5 and -6.0 °C respectively. At these temperatures a sharp rise of the temperature was observed up to ca. +10 °C, an indication of the presence of an undercooled liquid. The solid content increased with decreasing temperature and the test substance was predominantly but not completely solid at - 35 ºC.

B) Determination of the melting temperature with partly solid and liquid test substance using the capillary method.

The results of the 3 repeat determinations of the melting temperature for the test substance were 33.0 ºC in each case. 33 ºC is the temperature at which the whole test substance became liquid.

The combined experimentally determined melting / freezing range is < -35°C to + 33 ºC.

Reference 2

Endpoint:

melting point/freezing point

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Study period:

From February 16, 2005 to February 17, 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 recognized 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.

Melting / freezing pt.:

-14.6 °C

Remarks on result:

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

Melting / freezing pt.:

-4.1 °C

Remarks on result:

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

Melting / freezing pt.:

-36 °C

Remarks on result:

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

Conclusions:

Using the software MPBPWIN Version v1.4 2000, of the U.S. Environmental Protection Agency the calculated melting temperatures of the three main components of the test substance were: -36 ºC for Propan-2-one-O-(dimethoxymethylsilyl)oxime; -14.6 ºC for Propan-2-one-O,O'-(methoxymethylsilandiyl) dioxime and -4.1 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 melting temperatures of the three main components of the test substance were: -36 ºC for Propan-2-one-O-(dimethoxymethylsilyl)oxime; -14.6 ºC for Propan-2-one-O,O'-(methoxymethylsilandiyl) dioxime and -4.1 ºC for Propan-2-one-O,O',O''-(methylsilantriyl)trioxime.

Description of key information

Key study: OECD Guideline 102 and GLP. The combined experimentally determined melting / freezing range is < -35°C to + 33 ºC.

Additional information

Key study: A study was to determine the melting/freezing temperature of the test substance Wasox-MMAC2 was performed according to OECD Guideline 102 (GLP study). The combined experimentally determined melting / freezing range is < -35°C to + 33 ºC.

Supporting study: Using the software MPBPWIN Version v1.4 2000, of the U.S. Environmental Protection Agency the calculated melting temperatures of the three main components of the test substance were: -36 ºC for Propan-2-one-O-(dimethoxymethylsilyl)oxime; -14.6 ºC for Propan-2-one-O,O'-(methoxymethylsilandiyl) dioxime and -4.1 ºC for Propan-2-one-O,O',O''-(methylsilantriyl)trioxime.