Reaction product of trimethylhexamethylenediisocyanate and (3-mercaptopropyl)trimethoxysilane

Boiling point

Administrative data

Endpoint:

boiling 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 103 (Boiling Point)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7220 (Boiling Point / Boiling 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

Boiling point

Key result

Atm. press.:

ca. 101 325 Pa

Decomposition:

yes

Decomp. temp.:

> 175 °C

Remarks on result:

other:

Remarks:

No boiling was observed below the temperature at which reaction and/or decomposition started.

Any other information on results incl. tables

During cooling no effects were observed which were due to crystallization of the test item. During heating, a broad endothermic peak was observed between 50 °C and 175 °C. Based on small weight loss observed during the preliminary test, the endothermic effect was due of evaporation of minor volatile components. An exothermic peak directly followed by an endothermic effect was observed between 175 °C and 296 °C. The effects were due to reaction and/or decomposition of the test item.

After the experiment, a colourless residue remained in the sample container.

 

Reaction and/or decomposition of the test item was observed during DSC experiment at >175 °C (>448 K). Boiling of the test item was not observed below the temperature at which reaction and/or decomposition started. Based on this, the test item has no boiling temperature.

Applicant's summary and conclusion

Conclusions:

Reaction and/or decomposition of the test item was observed during DSC experiment at >175 °C (>448 K).  No boiling was observed below the temperature at which reaction and/or decomposition started.

Executive summary:

The boiling temperature of the test item was investigated by DSC (differential scanning calorimetry) according to EC Method A.2., OECD 103 and OPPTS 830.7220. Reaction and/or decomposition of the test item was observed during DSC experiment at >175 °C (>448 K). No boiling was observed below the temperature at which reaction and/or decomposition started.