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The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

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Environmental fate & pathways

Hydrolysis

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
hydrolysis
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Estimated data generated using the EPI Suite model developed by the USEPA.
Qualifier:
according to guideline
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
Transformation products:
not specified
pH:
7
Temp.:
25 °C
DT50:
4.808 yr
Type:
other: estimated
Remarks on result:
other: Hydrolysis rate constant is 0.04568 L/mol-sec
pH:
8
Temp.:
25 °C
DT50:
175.623 d
Type:
other: estimated
Remarks on result:
other: Hydrolysis rate constant is 0.04568 L/mol-sec

HYDROWIN Program (v2.00) Results:

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

SMILES : O=C(OCCCCCCCC)C

CHEM : Acetic acid, octyl ester

MOL FOR: C10 H20 O2

MOL WT : 172.27

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

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

R2: n-Octyl-

Kb hydrolysis at atom # 2: 4.568E-002 L/mol-sec

Total Kb for pH > 8 at 25 deg C : 4.568E-002 L/mol-sec

Kb Half-Life at pH 8: 175.623 days

Kb Half-Life at pH 7: 4.808 years

Validity criteria fulfilled:
not specified
Conclusions:
The estimated half-life of Octyl acetate was estimated to be 4.808 yrs and 175.623 days at pH 7 and 8 (at 25 deg C) respectively, indicating that it is not rapidly hydrolysable.
Executive summary:

HYDROWIN v2.00 program of Estimation Programs Interface (EPI) Suite (2016) prediction model was used to predict the hydrolysis half-life of test compound Octyl acetate (CAS No. 112 -14 -1). The estimated half-life of Octyl acetate was estimated to be 4.808 yrs and 175.623 days at pH 7 and 8 (at 25ᵒC) respectively, indicating that it is not rapidly hydrolysable.

Description of key information

HYDROWIN v2.00 program of Estimation Programs Interface (EPI) Suite (2017) prediction model was used to predict the hydrolysis half-life of test compound Octyl acetate (CAS No. 112 -14 -1). The estimated half-life of Octyl acetate was estimated to be 4.808 yrs and 175.623 days at pH 7 and 8 (at 25ᵒC) respectively, indicating that it is not rapidly hydrolysable.

Key value for chemical safety assessment

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

Additional information

HYDROWIN v2.00 program of Estimation Programs Interface (EPI) Suite (2017) prediction model was used to predict the hydrolysis half-life of test compound Octyl acetate (CAS No. 112 -14 -1). The estimated half-life of Octyl acetate was estimated to be 4.808 yrs and 175.623 days at pH 7 and 8 (at 25ᵒC) respectively, indicating that it is not rapidly hydrolysable.