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EC number: 272-037-2 | CAS number: 68649-89-8
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: Modeling database
- Principles of method if other than guideline:
- HYDROWIN Program (v2.00) from EPI Suite estimation database
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of the test material: Resin acids and Rosin acids, ammonium salts
- Regulatory name: Resin acids and Rosin acids, ammonium salts
- Molecular formula: Not specified
- Molecular weight: Not specified
- Substance type: Organic - Radiolabelling:
- not specified
- Analytical monitoring:
- not specified
- Estimation method (if used):
- HYDROWIN v2.00
- Transformation products:
- not specified
- Key result
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- 172.497 d
- Type:
- not specified
- Remarks on result:
- other: other details not available
- pH:
- 8
- Temp.:
- 25 °C
- DT50:
- 17.25 d
- Type:
- not specified
- Remarks on result:
- other: other details not available
- Details on results:
- The Hydrolysis half life of chemical Resin acids and Rosin acids, ammonium salts at pH 7 is 172.497 days and at pH 8.0 is 17.250 days at 25 oC temperature.
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The hydrolysis half life at different pH and rate constant of test chemical Resin acids and Rosin acids, ammonium salts was estimated by EPI Suite ( HydroWin). The Half life estimated at pH 7 was 172.497 days and at pH 8 half life was 17.250 days at temperature 25 oC. The rate Constant at pH > 8 was 0.4651 L/Mol/Sec at 25 oC.
- Executive summary:
The hydrolysis half life at different pH and rate constant of test chemical Resin acids and Rosin acids, ammonium salts was estimated by EPI Suite (HydroWin). The Half life estimated at pH 7 was 172.497 days and at pH 8 half life was 17.250 days at temperature 25 oC. The rate Constant at pH > 8 was 0.4651 L/Mol/Sec at 25 oC. Since, half life of hydrolysis of chemical Resin acids and Rosin acids, ammonium salts is more than 10 days it shows negligible hydrolysis in water.
Reference
HYDROWIN Program (v2.00) Results:
================================
SMILES : HN(H)(H)OC(=O)C4C(C(=O)(O))C2CC3C4(CCC1C3(C)CCCC1(C)C(=O)(O))C=C2C(C)
C
CHEM :
MOL FOR: C24 H36 N1 O6
MOL WT : 434.56
--------------------------- 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: -cyclohexyl
** R2: -NH2
Kb hydrolysis at atom # 6: 4.651E-001 L/mol-sec
Total Kb for pH > 8 at 25 deg C : 4.651E-001 L/mol-sec
Kb Half-Life at pH 8: 17.250 days
Kb Half-Life at pH 7: 172.497 days
Description of key information
The hydrolysis half life at different pH and rate constant of test chemical Resin acids and Rosin acids, ammonium salts was estimated by EPI Suite (HydroWin). The Half life estimated at pH 7 was 172.497 days and at pH 8 half life was 17.250 days at temperature 25 oC. The rate Constant at pH > 8 was 0.4651 L/Mol/Sec at 25 oC.Since, half life of hydrolysis of chemical Resin acids and Rosin acids, ammonium salts is more than 10 days it shows negligible hydrolysis in water.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 172.497 d
- at the temperature of:
- 25 °C
Additional information
The hydrolysis half life at different pH and rate constant of test chemical Resin acids and Rosin acids, ammonium salts was estimated by EPI Suite (HydroWin). The Half life estimated at pH 7 was 172.497 days and at pH 8 half life was 17.250 days at temperature 25 oC. The rate Constant at pH > 8 was 0.4651 L/Mol/Sec at 25 oC.Since, half life of hydrolysis of chemical Resin acids and Rosin acids, ammonium salts is more than 10 days it shows negligible hydrolysis in water.
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