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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)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Data is from computational model developed by USEPA, HYDROWIN Program (v2.00)
Qualifier:
according to guideline
Guideline:
other: modelling database
Principles of method if other than guideline:
Estimation of half lives of chemical methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate (CAS no. 127-25-3) in water by EPI Suite HYDROWIN Program (v2.00).
GLP compliance:
not specified
Specific details on test material used for the study:
- Name of test material: methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate
- Molecular formula : C21H32O2
- Molecular weight : 316.4818 g/mol
- Smiles notation: COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C
- InChl : 1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+,21+/m0/s1
- Substance type: Organic
- Physical state: Liquid
Radiolabelling:
not specified
Transformation products:
not specified
Key result
pH:
7
DT50:
18.126 yr
Type:
not specified
Remarks on result:
other:
Remarks:
no other details available
Key result
pH:
8
DT50:
1.813 yr
Type:
not specified
Remarks on result:
other: Other details not available
Temp.:
25 °C
Hydrolysis rate constant:
121 s-1
Type:
not specified
Remarks on result:
other: at pH > 8, and hydrolysis rate conatant unit L/Mol/sec
Validity criteria fulfilled:
not specified
Conclusions:
The half-life of methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate was estimated to be 18.126 years at pH-7 by using HYDROWIN Program (v2.00), indicates that the chemical methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate can not be hydrolysed in water.
Executive summary:

The half-life of methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate (CAS no. 127 -25 -3)was estimated to be 18.126 years at pH-7 by using HYDROWIN Program (v2.00), indicates that the chemical methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate can not  be hydrolysed in water. and hydrolysis rate constant estimated was 121 L/mol/sec at pH >8 and temperature 25 deg.C.

Description of key information

The half-life of methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate (CAS no. 127 -25 -3)was estimated to be 18.126 years at pH-7 by using HYDROWIN Program (v2.00), indicates that the chemical methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate can not  be hydrolysed in water.and hydrolysis rate constant estimated was 121 L/mol/sec at pH >8 and temperature 25 deg.C.

Key value for chemical safety assessment

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

Additional information

The half-life of methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate (CAS no. 127 -25 -3)was estimated to be 18.126 years at pH-7 by using HYDROWIN Program (v2.00), indicates that the chemical methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate can not  be hydrolysed in water.and hydrolysis rate constant estimated was 121 L/mol/sec at pH >8 and temperature 25 deg.C.