Reaction product of 3,5,5-trimethyl-hexanoic acid and 2-methylpropanoic acid and pentaerythritol

Boiling point

Link to relevant study record(s)

Reference

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

15 July 2011 - 09 February 2012

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

Study was conducted in accordance with International guidelines and in accordance with GLP. All guideline validity criteria were met.

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point)

Version / remarks:

27 July 1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Version / remarks:

Commission Regulation (EC) No 440/2008 laying down test methods pursuant to Regulation (EC) No 1907/2006 of the European Parliament and of the Council on the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

method according to Siwoloboff

Remarks:

Differential scanning calorimetry (DSC) was employed to investigate potential test item decomposition.

Specific details on test material used for the study:

RADIOLABELLING INFORMATION (if applicable)
- Radiochemical purity: N/A
- Specific activity: N/A
- Locations of the label: N/A
- Expiration date of radiochemical substance: N/A

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room temperature in the dark and under nitrogen.
- Stability under test conditions: Asumed stable until decomposition at 180 °C.
- Solubility and stability of the test substance in the solvent/vehicle: N/A, applied as supplied.
- Reactivity of the test substance with the solvent/vehicle of the cell culture medium: N/A.

TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing: N/A
- Preliminary purification step (if any): N/A
- Final dilution of a dissolved solid, stock liquid or gel: N/A
- Final preparation of a solid: N/A

FORM AS APPLIED IN THE TEST (if different from that of starting material) : Applied as supplied.

TYPE OF BIOCIDE/PESTICIDE FORMULATION (if applicable) : N/A

OTHER SPECIFICS: No

Key result

Atm. press.:

1 019 mBar

Decomposition:

yes

Decomp. temp.:

180 °C

Remarks on result:

not determinable

Remarks:

the test substance decomposed at temperatures above approximately 180°C without boiling.

Conclusions:

The boiling temperature of Tetraesters of pentaerythritol with 2- methylpropanoic acid and 3,5,5-trimethyl-hexanoic acid was not determinable, as the test substance decomposed at temperatures above approximately 180 °C without boiling.

Executive summary:

OECD 103 (2012) - The determination was carried out using the Siwoloboff method. A boiling tube (3.2 mm diameter) was filled to a height of approximately 5 to 10 mm with the sample and a boiling capillary was immersed, open end first. A trial determination was made initially to estimate the boiling point of the substance. The boiling tube containing the sample and the boiling capillary was inserted into the sample holder and the temperature was raised at 10 °C/minute to 360 °C. 

In the trial determination at 1019 mbar,  Tetraesters of pentaerythritol with 2-methylpropanoic acid and 3,5,5-trimethyl-hexanoic acid showed no sign of boiling as the temperature was raised to 360 °C, but evolution of gas was indicative of possible decomposition. 

Differential scanning calorimetry (DSC) was employed to investigate further. A DSC trace was obtained using a Mettler Toledo FP900 Thermosystem with FP85 DTA/DSC measuring cell, in an air atmosphere at a heating rate of 1 °C/minute. The DSC trace confirmed decomposition from approximately 180 °C as evidenced by a series of exotherms and endotherms from this temperature. The decomposed sample had the appearance of a dark brown residue at the end of testing. 

The boiling temperature of Tetraesters of pentaerythritol with 2-methylpropanoic acid and 3,5,5-trimethyl-hexanoic acid was not determinable, as the test substance decomposed at temperatures above approximately 180°C without boiling.

 

Description of key information

Boiling point = Not determinable, as the test substance decomposed at temperatures above approximately 180 °C without boiling; OECD 103; Sydney, P. (2012)

Additional information

OECD 103 (2012) - The determination was carried out using the Siwoloboff method. A boiling tube (3.2 mm diameter) was filled to a height of approximately 5 to 10 mm with the sample and a boiling capillary was immersed, open end first. A trial determination was made initially to estimate the boiling point of the substance. The boiling tube containing the sample and the boiling capillary was inserted into the sample holder and the temperature was raised at 10 °C/minute to 360 °C. 

In the trial determination at 1019 mbar, Tetraesters of pentaerythritol with 2-methylpropanoic acid and 3,5,5-trimethyl-hexanoic acid showed no sign of boiling as the temperature was raised to 360 °C, but evolution of gas was indicative of possible decomposition.

Differential scanning calorimetry (DSC) was employed to investigate further. A DSC trace was obtained using a Mettler Toledo FP900 Thermosystem with FP85 DTA/DSC measuring cell, in an air atmosphere at a heating rate of 1 °C/minute. The DSC trace confirmed decomposition from approximately 180 °C as evidenced by a series of exotherms and endotherms from this temperature. The decomposed sample had the appearance of a dark brown residue at the end of testing. 

The boiling temperature of Tetraesters of pentaerythritol with 2-methylpropanoic acid and 3,5,5-trimethyl-hexanoic acid and pentaerythritol was not determinable, as the test substance decomposed at temperatures above approximately 180 °C without boiling.