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Registration Dossier
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EC number: 207-223-4 | CAS number: 454-31-9
Hydrolysis
Administrative data
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Well documented study. No half lifes were calculated
Data source
Reference
- Reference Type:
- publication
- Title:
- General Base Catalysis of Ester Hydrolysis
- Author:
- Jencks WP & Carriuolo J
- Year:
- 1 961
- Bibliographic source:
- Contribution No. 87 from the Graduate Department of Biochemistry, Brandeis University
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- according to Jencks WP & Carriuolo J, ibid., 82, 675 (1960)
- GLP compliance:
- no
Test material
- Reference substance name:
- Ethyl difluoroacetate
- EC Number:
- 207-223-4
- EC Name:
- Ethyl difluoroacetate
- Cas Number:
- 454-31-9
- Molecular formula:
- C4H6F2O2
- IUPAC Name:
- ethyl 2,2-difluoroacetate
- Details on test material:
- - Name of test material (as cited in study report): ethyl difluoroacetate
- Analytical purity: not reported
Constituent 1
Study design
- Buffers:
- - pH: 4.2
- Type and final molarity of buffer: Aniline in 1% ethanol, 02-0.8 M
- pH: 4.8
- Type and final molarity of buffer: Aniline in 1% ethanol, 01-0.4 M
- pH: 4.3
- Type and final molarity of buffer: K acetate in 1% ethanol, 01-0.4
- pH: 4.9
- Type and final molarity of buffer: K acetate in 1% ethanol, 01-0.4
- pH: 7.0
- Type and final molarity of buffer: Imidazole in 1% ethanol, 01-0.4
- pH: 7.3
- Type and final molarity of buffer: Imidazole in 1% ethanol, 01-0.4
- pH: 7.5
- Type and final molarity of buffer: Imidazole in 1% ethanol, 01-0.4 - Details on test conditions:
- TEST SYSTEM
Test vessels: glass-stoppered tubes with small air space
Test volume: 5-10 ml
Results and discussion
- Details on hydrolysis and appearance of transformation product(s):
- The presence of free fluoride ions was measured in aliquots of reaction mixtures with 0.02 M ethyl difluoroaceate in acetate buffer and 0.01 M ethyl difluoroaceate in imidazole buffer, respectively.
Dissipation DT50 of parent compoundopen allclose all
- pH:
- 4.2
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0.003 min-1
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Buffer Aniline 0.2 - 0.8 M)
- pH:
- 4.9
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0.003 min-1
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Buffer K acetate (0.1 - 0.8 M)
- pH:
- 7
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0.033 min-1
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Buffer Imidazole (0.1 - 0.4 M)
- pH:
- 7.5
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0.08 min-1
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Buffer Imidazole (0.1 - 0.4 M)
- Details on results:
- Analysis: No free fluoride ions were found (Detection limit 0.001 M)
Applicant's summary and conclusion
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