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EC number: 248-595-8 | CAS number: 27668-52-6
Hydrolysis
Administrative data
Link to relevant study record(s)
- 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
- Guideline:
- other: as mentioned below
- 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 measured
- pH:
- 4
- Temp.:
- 25 °C
- DT50:
- ca. 1.1 - 24 min
- Type:
- other: estimated
- Remarks on result:
- other: rapidly hydrolysable
- pH:
- 5
- Temp.:
- 25 °C
- DT50:
- ca. 13 - 155 min
- Type:
- other: estimated
- Remarks on result:
- other: rapidly hydrolysable
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- ca. 28 - 504 min
- Type:
- other: estimated
- Remarks on result:
- other: rapidly hydrolysable
- pH:
- 9
- Temp.:
- 25 °C
- DT50:
- ca. 0.04 - 340 min
- Type:
- other: estimated
- Remarks on result:
- other: rapidly hydrolysable
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The estimated half-life of (3-(Trimethoxysilyl)propyl)dimethyloctadecylammonium chloride was estimated to be -
at pH 4: 1.1 to 24 min
at pH 5: 13 to 155 min
at pH 7: 28 to 504 min
at pH 9: 0.04 to 340 min (at 25ᵒC) respectively, indicating that it is 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 (3-(Trimethoxysilyl)propyl)dimethyloctadecylammonium chloride (CAS No. 27668 -52 -6).The estimated half-life of (3-(Trimethoxysilyl)propyl)dimethyloctadecylammonium chloride at different pH was estimated to be -
at pH 4: 1.1 to 24 min
at pH 5: 13 to 155 min
at pH 7: 28 to 504 min
at pH 9: 0.04 to 340 min (at 25ᵒC) respectively, indicating that it is rapidly hydrolysable.
Reference
HYDROWIN Program (v2.00) Results:
================================
SMILES : [Si](OC)(OC)(OC)CCCN(C)(C)(CL)CCCCCCCCCCCCCCCCCC
CHEM : 1-Octadecanaminium, N,N-dimethyl-N-[3-(trimethoxysilyl)propyl]-, chlo
ride
MOL FOR: C26 H58 CL1 N1 O3 Si1
MOL WT : 496.30
--------------------------- HYDROWIN v2.00 Results ---------------------------
Hydrolyzable Function detected: Alkoxysilanes
[Si]-(O-alkyl)
Hydrolysis of alkoxysilanes is both acid and base-catalyzed. Rates are slowest near pH 7.
Experimental hydrolysis half-lives for various alkoxysilanes are as follows (25 deg C)
pH4: 1.1 to 24 min
pH5: 13 to 155 min
pH7: 28 to 504 min
pH9: 0.04 to 340 min
Description of key information
HYDROWIN v2.00 program of Estimation Programs Interface (EPI) Suite (2016) prediction model was used to predict the hydrolysis half-life of test compound (3-(Trimethoxysilyl)propyl)dimethyloctadecylammonium chloride (CAS No. 27668 -52 -6).The estimated half-life of (3-(Trimethoxysilyl)propyl)dimethyloctadecylammonium chloride at different pH was estimated to be -
at pH 4: 1.1 to 24 min
at pH 5: 13 to 155 min
at pH 7: 28 to 504 min
at pH 9: 0.04 to 340 min (at 25ᵒC) respectively, indicating that it is rapidly hydrolysable.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 504 min
- at the temperature of:
- 25 °C
Additional information
HYDROWIN v2.00 program of Estimation Programs Interface (EPI) Suite (2016) prediction model was used to predict the hydrolysis half-life of test compound (3-(Trimethoxysilyl)propyl)dimethyloctadecylammonium chloride (CAS No. 27668 -52 -6).The estimated half-life of (3-(Trimethoxysilyl)propyl)dimethyloctadecylammonium chloride at different pH was estimated to be -
at pH 4: 1.1 to 24 min
at pH 5: 13 to 155 min
at pH 7: 28 to 504 min
at pH 9: 0.04 to 340 min (at 25ᵒC) respectively, indicating that it is rapidly hydrolysable.
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