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Environmental fate & pathways

Hydrolysis

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Reference
Endpoint:
hydrolysis
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Estimated data generated using the EPI Suite model developed by the USEPA.
Qualifier:
according to
Guideline:
other: Modeling database
Principles of method if other than guideline:
Data is from HYDROWIN v2.00 of EPI suite.
GLP compliance:
not specified
Radiolabelling:
not specified
Analytical monitoring:
not specified
Estimation method (if used):
HYDROWIN v2.00
Positive controls:
not specified
Negative controls:
not specified
Transformation products:
not specified
Key result
pH:
7
Temp.:
25 °C
DT50:
2.142 yr
Type:
other: estimated data
Remarks on result:
other: Hydrolysis rate constant is 0.1025 L/mol-sec
Key result
pH:
8
Temp.:
25 °C
DT50:
78.232 d
Type:
other: estimated data
Remarks on result:
other: Hydrolysis rate constant is 0.1025 L/mol-sec

HYDROWIN Program (v2.00) Results:

================================

SMILES : O=C(OCCC(CCCC(C)C)C)C

CHEM : 1-Octanol, 3,7-dimethyl-, acetate

MOL FOR: C12 H24 O2

MOL WT : 200.32

--------------------------- HYDROWIN v2.00 Results ---------------------------

NOTE: Fragment(s) on this compound are NOT available from the fragment

library. Substitute(s) have been used!!! Substitute R1, R2, R3,

or R4 fragments are marked with double astericks "**".

ESTER: R1-C(=O)-O-R2 R1: -CH3

** R2: n-Propyl-

Kb hydrolysis at atom # 2: 1.025E-001 L/mol-sec

Total Kb for pH > 8 at 25 deg C : 1.025E-001 L/mol-sec

Kb Half-Life at pH 8: 78.232 days

Kb Half-Life at pH 7: 2.142 years

Validity criteria fulfilled:
not specified
Conclusions:
The estimated half-life of test chemical was determined to be 2.142 yrs and 78.232 days at pH 7.0 and 8.0 (at 25ᵒC) respectively.
Executive summary:

HYDROWIN v2.00 program of Estimation Programs Interface (2018) prediction model was used to predict the hydrolysis half-life of test chemical. The estimated half-life of test chemical was determined to be 2.142 yrs and 78.232 days at pH 7.0 and 8.0 (at 25ᵒC) respectively.

Description of key information

HYDROWIN v2.00 program of Estimation Programs Interface (2018) prediction model was used to predict the hydrolysis half-life of test chemical. The estimated half-life of test chemical was determined to be 2.142 yrs and 78.232 days at pH 7.0 and 8.0 (at 25ᵒC) respectively.

Key value for chemical safety assessment

Half-life for hydrolysis:
2.142 yr
at the temperature of:
25 °C

Additional information

HYDROWIN v2.00 program of Estimation Programs Interface (2018) prediction model was used to predict the hydrolysis half-life of test chemical. The estimated half-life of test chemical was determined to be 2.142 yrs and 78.232 days at pH 7.0 and 8.0 (at 25ᵒC) respectively.

 

Hydrolysis endpoint can also be considered for waiveras per in accordance with column 2 of Annex VIII of the REACH regulation, testing for this endpoint is scientifically not necessary and does not need to be conducted since the test chemical is readily biodegradable.