Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From February 03, 2021 to March 18, 2021
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2021
Report date:
2021

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 103 (Boiling Point)
Version / remarks:
1995
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.2 (Boiling Temperature)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7220 (Boiling Point / Boiling Range)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
method according to Siwoloboff

Test material

Constituent 1
Chemical structure
Reference substance name:
2-methyl-3-(p-tolyl)propionaldehyde
EC Number:
255-410-4
EC Name:
2-methyl-3-(p-tolyl)propionaldehyde
Cas Number:
41496-43-9
Molecular formula:
C11H14O
IUPAC Name:
2-methyl-3-(4-methylphenyl)propanal
Test material form:
liquid

Results and discussion

Boiling point
Key result
Boiling pt.:
249 °C
Atm. press.:
ca. 101.3 kPa

Any other information on results incl. tables

Accuracy checking:

The accuracy of the instrument was checked by determining the melting point of a certified sample of benzoic acid (certified melting point: 123.0°C ±0.3°C).

The results were:

First determination : 122.9°C

Second determination : 123.0°C

Third determination : 122.9°C

Boiling point determination:

First determination: observed boiling point : 245. 7°C

Second determination: observed boiling point : 245.9°C

Correction to normalized pressure:

The atmospheric pressure at the time of the experiment was 94.90 kPa (Meteo Suisse).

A correction of the temperature to normalised pressure (101.325 kPa) was made. The determination of this correction factor was made using the Sidney Young equation, as recommended in OECD guideline 103:

Tn= T + (fT·Δp) 

Where:       Δp = 101.325 kPa – p

       p = pressure in kPa; the pressure was obtained from the Swiss meteorological service for the time of the experiment;

fT = rate of change of boiling temperature with pressure in K/kPa, here a value of 0.45 K/kPa, (linear interpolation of the values for 523.15 K and 548.15 K as published in the OECD guideline 103) was used.

                    T = temperature in K

                   Tn= normal boiling point

With this correction made, it can be concluded that the standard boiling point of the substance is (values rounded off): 522 K (249°C)

Applicant's summary and conclusion

Conclusions:
From the tests described above, it can be concluded that the standard boiling point of
2-methyl-3-(p-tolyl)propionaldehyde is (values rounded off):
522 K (249°C)
Executive summary:

The boiling point of 2-methyl-3-(p-tolyl)propionaldehyde was measured according to OECD Guideline No. 103 (principle according to Siwoloboff). The result can be expressed as follows (values rounded off):


The boiling point of 2-methyl-3-(p-tolyl)propionaldehyde is 522 K (249°C)