2,2-dimethylpropane-1,3-diyl 2-ethylhexanoate

Boiling point

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Data from handbook or collection of data.

Principles of method if other than guideline:

Data base data, no information is given on test method

GLP compliance:

no

Key result

Boiling pt.:

75 °C

Remarks on result:

other: pressure not indicated

There are no values given for pressure. No information is given on decomposition/sublimation temperature.

Conclusions:

Beilstein Handbook of Organic Chemistry / National Institute of Technology and Evaluation (NITE), Tokyo, Japan (http://www.safe.nite.go.jp/english/db.html) stated that the test substance (CAS: 28510-23-8) has a boiling point of 75 °C

Executive summary:

Beilstein Handbook of Organic Chemistry / National Institute of Technology and Evaluation (NITE), Tokyo, Japan (http://www.safe.nite.go.jp/english/db.html) stated that the test substance (CAS: 28510-23-8) has a boiling point of 75 °C

Reference 2

Endpoint:

boiling point

Data waiving:

other justification

Justification for data waiving:

other:

Executive summary:

In accordance with column 2 of EC 1907/2006 Annex VII the boiling point measurement does not need to be performed as the substance decomposes before boiling. Boiling point is a property which shows a correlation with increasing molecular weight / chain length and increasing boiling point. Measured boiling points of fatty acids short chain methyl ester (SCAE ME) prove this correlation, so the highest measured boiling point for C16 ME (MW = 270,4558) is 338°C, for C18 ME (MW = 298,5095) is 352 °C. Blake et al. (J. Chem. Eng. Data, 1961, 6, 87-98) show for esters of long chain acids that all esters with β-hydrogen atoms in the alcohol (i.e. alcohols with C3, e.g. propanol) decompose in the range between 262 and 283 °C. Conclusion: Esters of fatty acids esterified with alcohols ≥ C3 and having a molecular weight exceeding 300 amu have a boiling point > 300 °C and decompose before boiling.

Description of key information

> 300 °C, decomposition probable

Key value for chemical safety assessment

Boiling point at 101 325 Pa:

300 °C

Additional information

This property shows a correlation between molecular weight / chain length and boiling point. Measured boiling points for methyl esters of fatty acids prove this correlation. Fatty acid esters of a molecular weight > 300 amu and a β-hydrogen in the alcohol chain (≥ C3) have a boiling point > 300 °C and decompose before boiling.

The study reporting an experimental b.p. of only 75 °C is assumed to be performed at reduced pressure (pressure not reported) as the individual boiling points of the acid and alcohol components of the ester at atmospheric pressure already exceed 200 °C.