Registration Dossier
Registration Dossier
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EC number: 203-380-8 | CAS number: 106-27-4
Hydrolysis
Administrative data
Link to relevant study record(s)
- Endpoint:
- hydrolysis
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- other:
- Endpoint:
- hydrolysis
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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
- Guideline:
- other: REACH guidance on QSARs R.6
- GLP compliance:
- no
- Remarks:
- QSAR calculation
- Specific details on test material used for the study:
- SMILES: O=C(OCCC(C)C)CCC (used for model prediction).
InChI: 1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3 (not used in the model prediction). - Estimation method (if used):
- Model version: EpiSuite v4.11 (November 2012), HYDROWIN v2.00.
HYDROWIN provides predictions at pH 7 and 8. To provide values for pH 4, 7 and 9 a subsequent calculation of the model was applied. The calculation formulas are decribed in detail in the QMPF and QRPF documents. - Transformation products:
- not specified
- pH:
- 4
- DT50:
- 4 130 yr
- Remarks on result:
- other: QSAR predicted half-life
- pH:
- 7
- DT50:
- 4.13 yr
- Remarks on result:
- other: QSAR predicted half-life
- pH:
- 9
- DT50:
- 15 d
- Remarks on result:
- other: QSAR predicted half-life
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The hydrolytic activity of Isoamyl butyrate was predicted with EpiSuite v4.11, HYDROWIN v2.00 at pH 4, 7 and 9. Respective half-lifes were calculated as 4130 years, 4.13 years and 15.0 days. This indicates that in alkaline enviromental conditions the substance will be more hydroltically degraded than in neutral or acidic conditions.
Referenceopen allclose all
Description of key information
Since the substance undergo a fast biodegradation if released into the enviromnent, abiotic degradation is not a relevant environmental pathway.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 4.13 yr
Additional information
Based on a QSAR calculation (EpiSuite v4.11, HYDROWIN v2.00 ) half-lives of 4130 years, 4.13 years and 15.0 days at pH 4, 7 and 9 were predicted, respectively, indicating that the substance is stable under non-alkaline environmental conditions. However, it can be assumed that abiotic degradation is not the relevant environmental pathway for the test substance since the results of a biodegradation test (pass-level was reached within 28 days) showed that the substance is not persistent in the environment.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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