Ethyl 2-chloroacetoacetate

Boiling point

Administrative data

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

30 March 2010-22 June 2010

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: This study has been performed according to OECD and EC guidelines and according to GLP principles.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2010

Report date:

2010

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling point/boiling range)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

differential scanning calorimetry

Test material

Test material information

Constituent 1

Reference substance name:

Ethyl 2-chloroacetoacetate

EC Number:

210-180-4

EC Name:

Ethyl 2-chloroacetoacetate

Cas Number:

609-15-4

Molecular formula:

C6H9ClO3

IUPAC Name:

ethyl 2-chloro-3-oxobutanoate

Details on test material:

- Name of test material (as cited in study report): Chloracetessigester
- Molecular formula: C6H9ClO3
- Molecular weight: 164.59
- Substance type: Clear slightly yellowish liquid
- Physical state: liquid
- Analytical purity: 93.9%
- Impurities (identity and concentrations): -
- Composition of test material, percentage of components: -
- Isomers composition: -
- Purity test date: -
- Lot/batch No.: 001008
- Expiration date of the lot/batch: 26 July 2010 (retest date)
- Stability under test conditions: Stable
- Storage condition of test material: At room temperature in the dark
- Other: -

Results and discussion

Boiling point

Boiling pt.:

200 °C

Atm. press.:

1 007 - 1 013 hPa

Remarks on result:

other: The boiling temperature of Chloracetessigester was 200°C (473K). The atmospheric pressure was 1007 - 1013 hPa during experiment 1 and 1028 hPa during experiments 2 and 3.

Any other information on results incl. tables

The DSC-curve obtained with the first experiment shows an endothermic peak between 125°C and 225°C . The extrapolated onset temperature of the peak was 200.30°C. The effect was most likely obtained due to evaporation of the test substance. After the experiment it was observed that the test substance had evaporated from the sample container.

 

To investigate the evaporation peak, a closed sample container was used in the second experiment. The extrapolated onset temperature of the evaporation peak was 258.61°C. Because the endothermic peak shifted to a higher temperature, it was concluded that it was due to evaporation of the test substance. After the experiment, a small amount of brown residue remained in the sample container.

 

The third experiment was performed as a duplicate of the first experiment. Similar results as with the first experiment were obtained. The extrapolated onset of the evaporation peak was 199.77°C.After the experiment it was observed that the test substance had evaporated from the sample container.

Applicant's summary and conclusion

Conclusions:

The boiling point was analyzed using differential scanning calorimetry (DSC). The boiling temperature of Chloracetessigester was 200°C (473K). The atmospheric pressure was 1007 - 1013 hPa during experiment 1 and 1028 hPa during experiments 2 and 3.