1,3-Propanediol, 2-methyl-, reaction products with ethenyltrimethoxysilane

Additional ecotoxological information

Administrative data

Endpoint:

additional ecotoxicological information

Type of information:

experimental study

Adequacy of study:

supporting study

Study period:

29 Dec 2010

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Non-GLP analytical report

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2010

Report date:

2010

Materials and methods

Test guideline

Qualifier:

no guideline followed

GLP compliance:

no

Test material

Test material information

Constituent 1

Reference substance name:

1,3-Propanediol, 2-methyl-, reaction products with ethenyltrimethoxysilane

EC Number:

700-957-0

Cas Number:

1141852-17-6

Molecular formula:

UVCB

IUPAC Name:

1,3-Propanediol, 2-methyl-, reaction products with ethenyltrimethoxysilane

Constituent 2

Reference substance name:

Reaction products of trimethoxy(vinyl)silane and 2-methylpropane-1,3-diol (2:5-6)

IUPAC Name:

Reaction products of trimethoxy(vinyl)silane and 2-methylpropane-1,3-diol (2:5-6)

Details on test material:

- Name of test material (as cited in study report): Y-15866
- Physical state: liquid
- Lot/batch No.: 3710-10
- Storage condition of test material: at room temperature about 20 °C

Results and discussion

Any other information on results incl. tables

In the study C76471, Harlan Laboratories was supposed to develop a method to analyze the test item Y-15866 in test water. To conduct the analytical part of an ecotox study, a sensitive and accurate method is needed. The test item Y-15866 is highly unstable in water (see Harlan study C76302, Y-15866: Determination of the Water Solubility) (Weissenfeld, 2010). This makes it very difficult to develop an analytical method to analyze Y-15866 in water samples. According to the sponsor’s information, most of the Y-15866’s degradation products (i.e. the silanols) are unstable in water, too. They are polymerizing forward and the resulting polymers seem to precipitate. The exception is the degradation product 2-methyl-1,3-propanediol (MPD). This could be analyzed by the sponsor’s gas chromatography method for the neat substance. However, due to the presence of MPD in the test item it would not be possible to distinguish between intrinsic MPD and produced MPD, since the content of MPD in Y-15866 is unknown. The Water Accommodated Fraction (WAF) samples from pre-experiments using an LC-MS/MS method were analysed. However, neither traces of the cyclic monomer (m/z=233) nor of the bridged dimer (m/z= 375) could be detected above LOQ of 0.1 µg/mL. Thus, for quantification of the test item in the ecotox tests the sensitivity of this method was not sufficient. Thus, no appropriate substance specific analytical method could be set up for Y-15866. For the non-specific determination of the Y-15866, measurement of silicon (Si) by atomic absorption spectroscopy or total organic carbon content analysis (TOC-measurements) were discussed. Due to the ubiquitous presence of Silicon, it was decided in accordance with the sponsor to analyze the TOC in the test water samples.

Applicant's summary and conclusion

Conclusions:

No suitable substance specific analytical method could be established.

Executive summary:

In the study C76471, Harlan Laboratories was supposed to develop a method to analyze the test item Y-15866 in test water. To conduct the analytical part of an ecotox study, a sensitive and accurate method is needed. The test item Y-15866 is highly unstable in water (see Harlan study C76302, Y-15866: Determination of the Water Solubility) (Weissenfeld, 2010). This makes it very difficult to develop an analytical method to analyze Y-15866 in water samples. According to the sponsor’s information, most of the Y-15866’s degradation products (i.e. the silanols) are unstable in water, too. They are polymerizing forward and the resulting polymers seem to precipitate. The exception is the degradation product 2-methyl-1,3-propanediol (MPD). This could be analyzed by the sponsor’s gas chromatography method for the neat substance. However, due to the presence of MPD in the test item it would not be possible to distinguish between intrinsic MPD and produced MPD, since the content of MPD in Y-15866 is unknown. The Water Accommodated Fraction (WAF) samples from pre-experiments using an LC-MS/MS method were analysed. However, neither traces of the cyclic monomer (m/z=233) nor of the bridged dimer (m/z= 375) could be detected above LOQ of 0.1 µg/mL. Thus, for quantification of the test item in the ecotox tests the sensitivity of this method was not sufficient. Thus, no appropriate substance specific analytical method could be set up for Y-15866. For the non-specific determination of the Y-15866, measurement of silicon (Si) by atomic absorption spectroscopy or total organic carbon content analysis (TOC-measurements) were discussed. Due to the ubiquitous presence of Silicon, it was decided in accordance with the sponsor to analyze the TOC in the test water samples.