3-(4,4-dimethylcyclohex-1-en-1-yl)propanal

Boiling point

Link to relevant study record(s)

Reference

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

07-12-2009 to 17-12-2009

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

Guideline study performed under GLP. All relevant validity criteria were met. Confirmation of testing results was performed by Differential Scanning Calourimetry (DSC) method (eq. or similar to EU Method A.2 & OECD TG 103) within the same study.

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling point/boiling range)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

inspected: May 2009 ; signature: September 2009

Type of method:

method according to Siwoloboff

Remarks:

Guideline study performed under GLP. All relevant validity criteria were met. Confirmation of testing results was performed by Differential Scanning Calourimetry (DSC) method (eq. or similar to EU Method A.2 & OECD TG 103) within the same study.

Key result

Boiling pt.:

> 495 K

Atm. press.:

97.9 kPa

Decomposition:

yes

Remarks:

The test item was determined to decompose at 495 K (222°C) at 97.9 kPa, prior to boiling. The decomposition was confirmed by DSC, the onset temperature was ca. 170°C and the exothermic peak was stated as 218.74 °C. Further details provided below.

Decomp. temp.:

ca. 218 °C

Remarks on result:

other: BP > 222 ± 0.5 °C; decomposition was reported in the study ; The test item was determined to decompose at 495 K (222°C) at 97.9 kPa, prior to boiling. The decomposition was confirmed by DSC.

Remarks:

DSC, onset temperature was ca. 170°C and the exothermic peak was stated as 218.74 °C. The integral was 307.37 mJ and energy release was stated as 16.53 J/g. Sample size 18.6 mg.

Measured temperatures were converted from °C to K using T = t + 273

T = temperature (K)

t = temperature (°C)

 

Preliminary test : Start 313 K ; bubbles emerge from capillary, unstable temperature: 496K (or 223°C) ; change of appearance (pale yellow liquid to brown liquid): 504K (or 231°C) at 97.9 kPa

Determination 1: Start 313 K ; bubbles emerge from capillary, unstable temperature: 495K (or 222°C) ; change of appearance (pale yellow liquid to brown liquid): 507K (or 234°C) at 97.9 kPa

Determination 2: Start 313 K ; bubbles emerge from capillary, unstable temperature: 494K (or 221°C) ; change of appearance (pale yellow liquid to brown liquid): 508K (or 235°C) at 97.9 kPa

 

In the Siwoloboff method the test item was determined to decompose at 495 K (222°C) at 97.9 kPa, prior to boiling. The decomposition was confirmed by DSC, the onset temperature was ca. 170°C and the exothermic peak was stated as 218.74 °C. The integral was 307.37 mJ and energy release was stated as 16.53 J/g. Sample size 18.6 mg. The method appeared eq. or similar to EU Method A.2 & OECD TG 103. Although the full details were not reported (e.g. heating rate).

Conclusions:

The boiling temperature of the test item has been determined to be > 495 K (or > 222°C) at 97.9 kPa with decomposition confirmed by DSC at ca. 218°C.

Executive summary:

The boiling temperature was determined using EU Method A.2 and OECD Method 103: Siwoloboff method under GLP. Decomposition was reported during the test. In the Siwoloboff method the test item was determined to decompose at 495 K (222°C) at 97.9 kPa, prior to boiling. Firstly bubbles emerge from capillary, unstable temperature at ca. 494K to 496K and/or a change of appearance of pale yellow liquid to brown liquid was observed at 504 to 508K. The decomposition was confirmed by Differential Scanning Calorimetry (DSC), the onset temperature was ca. 170°C and the exothermic peak was stated as 218.74°C. The integral was 307.37 mJ and energy release was stated as 16.53 J/g. Sample size 18.6 mg. Under the conditions of this study, the boiling temperature of the test item has been determined to be > 495 K (or > 222°C) at 97.9 kPa with decomposition confirmed by DSC at ca. 218°C.

Description of key information

BP: > 495 K (or > 222°C) at 97.9 kPa with decomposition prior to boiling confirmed by DSC at ca. 218°C, EU Method A.2 - Siwoloboff method, 2010

Supporting information:

Decomposition was confirmed by Differential Scanning Calorimetry (DSC), the onset temperature was ca. 170°C and the exothermic peak was stated as 218.74°C. The integral was 307.37 mJ and energy release was stated as 16.53 J/g. Sample size 18.6 mg.

Additional information

Key study : EU Method A.2, 2010 : The boiling temperature was determined using EU Method A.2 and OECD Method 103: Siwoloboff method under GLP. Decomposition was reported during the test. In the Siwoloboff method the test item was determined to decompose at 495 K (222°C) at 97.9 kPa, prior to boiling. Firstly bubbles emerge from capillary, unstable temperature at ca. 494K to 496K and/or a change of appearance of pale yellow liquid to brown liquid was observed at 504 to 508K. The decomposition was confirmed by Differential Scanning Calorimetry (DSC), the onset temperature was ca. 170°C and the exothermic peak was stated as 218.74°C. The integral was 307.37 mJ and energy release was stated as 16.53 J/g. Sample size 18.6 mg. Under the conditions of this study, the boiling temperature of the test item has been determined to be > 495 K (or > 222°C) at 97.9 kPa with decomposition confirmed by DSC at ca. 218°C.