Reaction product of trimethylhexamethylenediisocyanate and (3-mercaptopropyl)trimethoxysilane

Melting point / freezing point

Administrative data

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

06/04/2018 - 31/05/2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7200 (Melting Point / Melting Range)

Deviations:

no

GLP compliance:

yes

Type of method:

differential scanning calorimetry

Test material

Test material information

Constituent 1

Reference substance name:

2,4,4 TMDI function group 1 + mercaptan, mono-reacted

IUPAC Name:

2,4,4 TMDI function group 1 + mercaptan, mono-reacted

Constituent 2

Reference substance name:

2,4,4 TMDI function group 2 + mercaptan, mono-reacted

IUPAC Name:

2,4,4 TMDI function group 2 + mercaptan, mono-reacted

Constituent 3

Reference substance name:

2,2,4 TMDI function group 1 + mercaptan, mono-reacted

IUPAC Name:

2,2,4 TMDI function group 1 + mercaptan, mono-reacted

Constituent 4

Reference substance name:

2,2,4 TMDI function group 2 + mercaptan, mono-reacted

IUPAC Name:

2,2,4 TMDI function group 2 + mercaptan, mono-reacted

Constituent 5

Reference substance name:

2,2,4 bi-reacted compound

IUPAC Name:

2,2,4 bi-reacted compound

Constituent 6

Reference substance name:

2,4,4 bi-reacted compound

IUPAC Name:

2,4,4 bi-reacted compound

Constituent 7

Reference substance name:

2,4,4-trimethylhexa-1,6-diyl diisocyanate

EC Number:

239-714-4

EC Name:

2,4,4-trimethylhexa-1,6-diyl diisocyanate

Cas Number:

15646-96-5

Molecular formula:

C11H18N2O2

IUPAC Name:

1,6-diisocyanato-2,4,4-trimethylhexane

Constituent 8

Reference substance name:

2,2,4-trimethylhexa-1,6-diyl diisocyanate

EC Number:

241-001-8

EC Name:

2,2,4-trimethylhexa-1,6-diyl diisocyanate

Cas Number:

16938-22-0

Molecular formula:

C11H18N2O2

IUPAC Name:

1,6-diisocyanato-2,2,4-trimethylhexane

Test material form:

liquid

Specific details on test material used for the study:

Identification: Thio Isocyanate Adduct
Appearance: Colourless liquid
Batch: BZA11014
Store at room temperature under nitrogen

Results and discussion

Melting / freezing point

Key result

Melting / freezing pt.:

< -80 °C

Atm. press.:

ca. 101 325 Pa

Decomposition:

no

Sublimation:

no

Any other information on results incl. tables

The test item is liquid at room temperature. Crystallization or melting of the test item was not observed in the DSC experiments. Therefore an additional investigation of the melting temperature of the test item was performed by placing two subsamples of the test item for approximately 18 hours at -19.0 ± 0.2 °C and at -80.3 ± 1.1 °C. After storage, both samples became very viscous. Accordingly, the melting temperature of the test item is <-80 °C (<193 K).

Applicant's summary and conclusion

Conclusions:

The melting temperature of the test item was <-80 °C (<193 K), determined by storing the test item in a freezer.

Executive summary:

The melting temperature of the test item was investigated by DSC (differential scanning calorimetry) according to EC Method A.1., OECD Guideline 102 and OPPTS 830.7200. As the test item is liquid at room temperature, and crystallization or melting of the test item was not observed in the DSC experiments, a two subsamples of the test item were stored in a freezer for approximately 18 hours at -19.0 ± 0.2 °C and at -80.3 ± 1.1 °C. The melting temperature of the test item was determined to be <-80 °C (<193 K).