Sodium 3,5,5-trimethylhexanoate

Boiling point

Link to relevant study record(s)

Reference

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

comparable to guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point)

Deviations:

no

Qualifier:

equivalent or similar to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Deviations:

no

GLP compliance:

no

Type of method:

differential scanning calorimetry

Specific details on test material used for the study:

Name: Potassium 3,5,5-trimethylhexanoate
CAS No.: 93918-10-6
Batch No.: PURS151015
Purity: 99.4%
Physical State: solid
Colour: white
Molecular Weight: 196.33 g/mol
Storage Conditions: room temperature
Re-certification Date: 14 October 2016

Key result

Boiling pt.:

>= 427 °C

Atm. press.:

1 003 mBar

Decomposition:

yes

Decomp. temp.:

>= 427 °C

To determine the boiling behaviour (three independent single measurements), the test item was measured by DSC between -90 °C and 500 °C with a heating rate of 10 K/min. For the measurement a partially capsulated crucible, typical for boiling point measurements, was used.

The test item Potassium 3,5,5-trimethylhexanoate shows a boiling and/or thermal decomposition earliest at ca. 427 °C (at 1003 mbar) according to the definition in the OECD guideline 103.

426 °C (from first measurement)

428 °C (from second measurement)

426 °C (from third measurement)

From 427 °C the test item shows a boiling and/or thermal decomposition with evaporation of the decomposition components.

The DSC measurements were confirmed by means of TGA measurements under the same measuring conditions (no significant weight loss is visible up to a temperature of 427 °C).

The start of the area of boiling temperatures is defined by using the on-set temperature.

Conclusions:

The test item Potassium 3,5,5-trimethylhexanoate shows a boiling and/or thermal decomposition earliest at ca. 427 °C (at 1003 mbar) according to the definition in the OECD guideline 103.

Executive summary:

The boiling temperature of the test item was determined in accordance with the test method OECD Guideline Test 103 “OECD Guideline For The Testing Of Chemicals, adopted by the Council on 27th July 1995, Boiling Point” (similar to the test method A.2. "Boiling temperature" as described in the Official Journal of the European Communities L383A). The test item Potassium 3,5,5-trimethylhexanoate shows a boiling and/or thermal decomposition earliest at ca. 427 °C (at 1003 mbar) according to the definition in the OECD guideline 103.

Description of key information

Potassium 3,5,5-trimethylhexanoate shows a boiling and/or thermal decomposition earliest at ca. 427 °C. The Na salt substance should have a similar value.

Clearly, sodium and potassium 3,5,5-trimethylhexanoateare closely related, being the respective acid and salts. The only difference between the two substances is the alkali metal cation, which generally exhibit similar properties as a salt once associated with an acid, in this case3,5,5-trimethylhexanoic acid.They can therefore be considered together in terms of safety assessment and the K salt has been assessed as being a good read-across substance for the Na salt

Key value for chemical safety assessment

Boiling point at 101 325 Pa:

427 °C