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Diss Factsheets

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
hydrolysis
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
QSAR
The hydrolysis QSAR prediction was assessed as adequate for regulatory purposes (Klimisch 2 – results derived from a valid QSAR model and falling into its applicability domain, with adequate and reliable documentation/justification).
Qualifier:
no guideline followed
Principles of method if other than guideline:
QSAR
GLP compliance:
no
Transformation products:
not specified
pH:
8
Temp.:
25 °C
DT50:
ca. 2.2 d
Type:
not specified
pH:
4
Temp.:
25 °C
DT50:
ca. 22 000 d
Type:
not specified
pH:
7
Temp.:
25 °C
DT50:
ca. 22 d
Type:
not specified
pH:
9
Temp.:
25 °C
DT50:
ca. 0.22 d
Type:
not specified
Validity criteria fulfilled:
not specified
Conclusions:
Hydrolysis as a function of pH (EPI Suite)
Kb = 3.653 L/mol-sec
HL*(pH 8) = 2.2 days
HL (pH4) = 22,000 days/ 60.3 years
HL (pH 7) = 22 days
HL (pH 9) = 0.22 days
Executive summary:

Hydrolysis as a function of pH (EPI Suite)

Kb = 3.653 L/mol-sec

HL*(pH 8) = 2.2 days

HL (pH4) = 22,000 days/ 60.3 years

HL (pH 7) = 22 days

HL (pH 9) = 0.22 days

Description of key information

Key value for chemical safety assessment

Half-life for hydrolysis:
22 d
at the temperature of:
25 °C

Additional information

Hydrolysis as a function of pH (EPI Suite)

Kb = 3.653 L/mol-sec

HL*(pH 8) = 2.2 days

HL (pH4) = 22,000 days/ 60.3 years

HL (pH 7) = 22 days

HL (pH 9) = 0.22 days