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Diss Factsheets

Administrative data

Endpoint:
hydrolysis
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Guideline study under GLP conditions

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2001
Report date:
2001

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
EU Method C.7 (Degradation: Abiotic Degradation: Hydrolysis as a Function of pH)
Deviations:
no
GLP compliance:
yes (incl. QA statement)

Test material

Constituent 1
Chemical structure
Reference substance name:
Chloroacetone
EC Number:
201-161-1
EC Name:
Chloroacetone
Cas Number:
78-95-5
Molecular formula:
C3H5ClO
IUPAC Name:
1-chloropropan-2-one
Details on test material:
Batch 000718
Purity 96.3 %
Radiolabelling:
no

Study design

Details on sampling:
No data reported
Buffers:
pH 4: 0,4 ml 0,1 M NaOH + 500 ml 0,1 M potassium hydrogen phthalate to 1000 ml
pH 7: 296,3 ml 0,1 M NaOH + 500 ml 0,1 M potassium dihydrogen phosphate to 1000 ml
pH 9: 0,1 M sodium tetraborate
Details on test conditions:
All solutions of the test substance in the respective buffer were prepared with a concentration of 0,720 g/l.

All tests were carried out using a constant temperature bath set at the chosen temperature. The temperature was kept within a range of +- 0,5 °C. This was proven by using a temperature recorder.
Duration of testopen allclose all
Duration:
14 d
pH:
4
Temp.:
50 °C
Initial conc. measured:
0.72 g/L
Duration:
2 d
pH:
7
Temp.:
50 °C
Initial conc. measured:
0.72 g/L
Duration:
99 d
pH:
4
Temp.:
39 °C
Initial conc. measured:
0.72 g/L
Duration:
7 d
pH:
7
Temp.:
30 °C
Initial conc. measured:
0.72 g/L
Statistical methods:
no data reported

Results and discussion

Preliminary study:
The preliminary test was performed at 50 °C. pH values were controlled after addition of the test substance. Further testing is not neccessary, if there is more than 50 % after 2,4 h or less than 10 % after five days hydrolysed.

pH value 4
Measured pH value 3,8 during all the time
time CMonochloroacetone [g/l] hydrolysed part [%]
0 0,720 g/l --
2,4 h > 0,660 g/l < 8,3
5 d 0,615 g/l 14,6

Further testing necessary ? Yes x No 

pH value 7
Measured pH value 7,0 – 7,1 during all the time
time C Monochloroacetone [g/l] hydrolysed part [%]
0 0,720 --
2,4 h 0,657 8,8
5 d 0,156 78,3

Further testing necessary ? Yes x No 

PH value 9
Measured pH value 9,2 – 9,3 during all the time
time C Monochloroacetone [g/l] hydrolysed part [%]
0 0,720 --
2,4 h 0,022 97,0
5 d 0,00 100

Further testing necessary ? Yes  No x

Transformation products:
yes
Identity of transformation productsopen allclose all
No.:
#1
Reference
Reference substance name:
Unnamed
IUPAC name:
1-Hydroxyacetone (CAS-Nr. 116-09-6)
No.:
#2
Reference
Reference substance name:
Unnamed
IUPAC name:
Hydrogen chloride (7647-01-0)
Identifier:
common name
Identity:
Hydrogen chloride (7647-01-0)
Details on hydrolysis and appearance of transformation product(s):
Monochloroacetone reacts with water resulting monohydroxyacetone and hydrochlorid acid.
Dissipation DT50 of parent compoundopen allclose all
pH:
4
Temp.:
50 °C
Hydrolysis rate constant:
0.05 d-1
DT50:
15.1 d
Type:
(pseudo-)first order (= half-life)
Remarks on result:
other: kobs = -0.020 x 2.303
pH:
7
Temp.:
50 °C
Hydrolysis rate constant:
0.42 d-1
DT50:
1.7 d
Type:
(pseudo-)first order (= half-life)
Remarks on result:
other: kobs = -0.181 X 2.303
pH:
4
Temp.:
39 °C
Hydrolysis rate constant:
0.01 h-1
DT50:
77 d
Type:
(pseudo-)first order (= half-life)
Remarks on result:
other: kobs = -0.004 x 2.303
pH:
7
Temp.:
39 °C
Hydrolysis rate constant:
0.1 d-1
DT50:
6.7 d
Type:
(pseudo-)first order (= half-life)
Remarks on result:
other: kobs = - 0.044 x 2.303
Details on results:
Result Method
pH 4: k25°C = 0,003 days-1
pH 7: k25°C = 0,015 days-1
pH 9: more than 50 % hydrolysis after 2,4 hours at 50 °C
EC test guideline C.7
Analytical procedure: titration of chloride ions

Applicant's summary and conclusion

Validity criteria fulfilled:
yes
Remarks:
GLP guideline study