Reaction mass of 7539-04-0 and pentaerythritol tetrakis(3-mercaptopropionate) and 2-{3-(3-mercaptopropionyl)thiopropionyl}oxymethyl-2-(3-mercaptopropionyl)oxymethyl-1,3-propanediyl bis(3-mercaptopropionate)

Additional physico-chemical information

Administrative data

Endpoint:

other: self-reactivity

Type of information:

other: statement for CLP

Adequacy of study:

weight of evidence

Cross-reference

Cross-reference 1

Reason / purpose for cross-reference:

reference to other study

Reference

No pyrophoric properties and 'not highly flammable in contact with water' (based on experience in handling and on structural features: UN-MTC Appendix 6).

Flammability:

not classified

Flash point: > 200°C

Auto-ignition temp.: 345°C

-Because the flash point is > 60°C, no classification is required for the CLP hazard 'Flammable liquid'.

-No classification is required for the CLP hazard 'Pyrophoric liquids' or 'Substances which in contact with water emits flammable gases'.

-Because of its high auto-ignition temperature and because the substance is a liquid, no classification is required for the CLP hazard 'self-heating' .

Cross-reference 2

Reason / purpose for cross-reference:

reference to other study

Reference

The substance has no explosive properties (based on structural features: UN-MTC App.6, EC A.14).

Explosiveness:

non explosive

Due to the lack of specific functional groups, classification for the explosive hazard is not required according to CLP Regulation (EC) No. 1272/2008

Cross-reference 3

Reason / purpose for cross-reference:

reference to other study

Reference

The substance has no oxidizing properties (based on structural features:UN-MTC App.6, EC A.21).  

Oxidising properties:

no

Due to the lack of specific functional groups, classification for the hazard 'oxidising liquid' is not required according to CLP Regulation (EC) No. 1272/2008.

Cross-reference 4

Reason / purpose for cross-reference:

other: Reference to composition

Reference

Name:

Reaction mass of PEMP and TMP

Type of composition:

legal entity composition of the substance

Reference substance:

Reaction mass of PEMP and TMP

Reference substance:

Reaction mass of PEMP and TMP

Reference substance:

Reaction mass of PEMP and TMP

Cross-reference 5

Reason / purpose for cross-reference:

reference to other study

Reference

Endpoint:

relative density

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From 01 July 2015 to 26 July 2016.

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.3 (Relative Density)

Version / remarks:

2008

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 109 (Density of Liquids and Solids)

Version / remarks:

2012

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7300 (Density / Relative Density / Bulk Density)

Version / remarks:

2002

Deviations:

no

GLP compliance:

yes

Type of method:

pycnometer method

Dynamic viscosity of test material:

No data.

Key result

Type:

relative density

Density:

1.28 other: no dimension

Temp.:

20 °C

Remarks on result:

other: relative to density of water at 4°C

Type:

density

Density:

1.28 g/cm³

Temp.:

20 °C

Table: Volume of the pycnometer

 

	Test 1	Test 2	Mean
Mass empty pycnometer (A)	30.4791 g	30.4747 g	30.4769 g
Mass pycnometer with water (B)	40.1094 g	40.1101 g
Volume of the pycnometer	9.6477 cm^3	9.6528 cm^3	9.6503 cm^3

 

Table: Density of the test substance

 

	Test 1	Test 2	Mean
Mass pycnometer with test substance (C) [g]	42.8542	42.8520
Density [g/cm3]	1.283	1.282	1.28
Relative density	1.283	1.282	1.28

Conclusions:

The relative density at 20°C of the substance PEMP product was determined to be 1.28.

Executive summary:

The relative density was determined using a volume pycnometer in a GLP study according to EC A.3, OECD 109 and OPPTS 830.7300. The relative density was determined in duplicate at 20°C obtaining a mean value of 1.28.

Cross-reference 6

Reason / purpose for cross-reference:

reference to other study

Reference

No melting/freezing point in the range -90 to 25°C (EC A.1, OECD 102, OPPTS 830.7200: DSC)

Glass transition temperature: -62°C.

Melting / freezing point at 101 325 Pa:

-20 °C

The value of -20°C is the lower limit for melting/freezing point determination according to Column 2 of Annex VII to REACH and was therefore chosen as the key value for CSA.

Materials and methods

Test material

Test material information

Constituent 1

Reference substance name:

Reaction mass of 7539-04-0 and pentaerythritol tetrakis(3-mercaptopropionate) and 2-{3-(3-mercaptopropionyl)thiopropionyl}oxymethyl-2-(3-mercaptopropionyl)oxymethyl-1,3-propanediyl bis(3-mercaptopropionate)

Molecular formula:

not applicable (generic description of the multi-constituent)

IUPAC Name:

Reaction mass of 7539-04-0 and pentaerythritol tetrakis(3-mercaptopropionate) and 2-{3-(3-mercaptopropionyl)thiopropionyl}oxymethyl-2-(3-mercaptopropionyl)oxymethyl-1,3-propanediyl bis(3-mercaptopropionate)

Test material form:

other: Liquid

Details on test material:

- Name of test material (as cited in study report): PEMP product
- Appearance: Colourless transparant liquid

Applicant's summary and conclusion

Conclusions:

The substance was determined to be not flammable, not flammable in contact with water, not pyrophoric, not oxidising and not explosive. The substance is not an organic peroxide. The substance was handled under normal conditions (room temperature) during, for example, the density determination. It is known from the DSC experiments that decomposition starts at approx. 225°C. Furthermore, the substance does not contain chemical groups indicating self-reactive properties (see Table A 6.3 in UN ST/SG/AC.10/11/Rev.6: Recommendations on the Transport of Dangerous Goods, Manual of Tests and Criteria, Appendix 6 "Screening procedures" (2015)). Based on all available information, it was concluded that the substance does not have to be classified for the CLP hazard 'self-reactive substances' and testing does not need to be to be considered.