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EC number: 451-190-0 | CAS number: 156558-98-4
Viscosity
Administrative data
Link to relevant study record(s)
- Endpoint:
- viscosity
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Remarks:
- 3 substances available for read across
- Adequacy of study:
- weight of evidence
- Justification for type of information:
- see the attached justification in section 13 for the full details.
- Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Key result
- Temp.:
- other: 25°C
- Parameter:
- dynamic viscosity (in mPa s)
- Value:
- 0.78
- Remarks on result:
- other: C5 FA tetraester
- Key result
- Temp.:
- other: 25°C
- Parameter:
- dynamic viscosity (in mPa s)
- Value:
- 1.51
- Remarks on result:
- other: C9 iso FA tetraester
- Key result
- Temp.:
- other: 25°C
- Parameter:
- dynamic viscosity (in mPa s)
- Value:
- 1.4
- Remarks on result:
- other: C10 testraester
- Conclusions:
- The read across for substance, CAS: 156558-98-4; EC: 451-190-0; is based upon the analogous substances to which basic form, degree of substition of functional groups is not considered to effect the proposed read across for the endpoint of viscosity. The viscosity for the substance based on the mean of the information available is deemed to be 1.23 mPa s.
- Endpoint:
- viscosity
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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
- Remarks:
- Validated QSAR model. The substance is possibly slightly outside of the applicability domain of the model. However, this calculation is used in a weight of evidence approach, in accordance to the REACh Regulation (EC) No 1907/2006, Annex XI General rules for adaptation of the standard testing regime set out in Annexes VII to X, 1.2.
- Justification for type of information:
- Validated QSAR model.
- Principles of method if other than guideline:
- Calculation based on T.E.S.T. version v4.1, consensus method
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Key result
- Temp.:
- other: 25.0°C
- Parameter:
- dynamic viscosity (in mPa s)
- Value:
- 1.4
- Endpoint:
- viscosity
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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
- Remarks:
- Validated QSAR model. The substance is possibly outside of the applicability domain of the model. However, this calculation is used in a weight of evidence approach, in accordance to the REACh Regulation (EC) No 1907/2006, Annex XI General rules for adaptation of the standard testing regime set out in Annexes VII to X, 1.2.
- Justification for type of information:
- Validated QSAR model.
- Principles of method if other than guideline:
- Calculation based on T.E.S.T. version v4.1, consensus method
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Key result
- Temp.:
- other: 25.0°C
- Parameter:
- dynamic viscosity (in mPa s)
- Value:
- 0.78
- Endpoint:
- viscosity
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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
- Justification for type of information:
- Validated QSAR model.
- Principles of method if other than guideline:
- Calculation based on T.E.S.T. version v4.1, consensus method
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Key result
- Temp.:
- other: 25.0°C
- Parameter:
- dynamic viscosity (in mPa s)
- Value:
- 1.51
Referenceopen allclose all
Calculated result at 25 °C: log(viscosity in cP) = 1.40
Individual predictions:
Method |
Predicted value, log (cP) |
Hierarchical clustering |
N/A |
Single model |
N/A |
Group contribution |
N/A |
FDA |
1.80 |
Nearest neighbor |
1.01 |
Predictions for the test chemical and for the most similar chemicals in the external test set:
Test set chemicals |
Mean absolute error in log(cP) |
Entire set |
0.13 |
Similarity coefficient ≥ 0.5 |
0.14 |
If similar test chemicals were predicted well relative to the entire test set, one has greater confidence in a predicted value. Here 0.14 is slightly greater than 0.13. The substance is possibly slightly outside of the applicability domain.
Calculated result at 25 °C: log(viscosity in cP) = 0.78.
Individual predictions:
Method |
Predicted value, log (cP) |
Hierarchical clustering |
0.62 |
Single model |
0.62 |
Group contribution |
N/A |
FDA |
0.57 |
Nearest neighbor |
1.29 |
Predictions for the test chemical and for the most similar chemicals in the external test set:
Test set chemicals |
Mean absolute error in log(cP) |
Entire set |
0.57 |
Similarity coefficient ≥ 0.5 |
1.29 |
If similar test chemicals were predicted well relative to the entire test set, one has greater confidence in a predicted value. Here 1.29 is greater than 0.57. The substance is possibly outside of the applicability domain.
Calculated result at 25 °C: log(viscosity in cP) = 1.51.
Individual predictions:
Method |
Predicted value, log (cP) |
Hierarchical clustering |
N/A |
Single model |
N/A |
Group contribution |
N/A |
FDA |
1.73 |
Nearest neighbor |
1.29 |
Predictions for the test chemical and for the most similar chemicals in the external test set:
Test set chemicals |
Mean absolute error in log(cP) |
Entire set |
0.13 |
Similarity coefficient ≥ 0.5 |
0.12 |
If similar test chemicals were predicted well relative to the entire test set, one has greater confidence in a predicted value. Here 0.12 is lower than 0.13. The substance is likely to be in compliance with the model applicability domain.
Description of key information
The read across for substance, CAS: 156558-98-4; EC: 451-190-0; is based upon the analogous substances to which basic form, degree of substitution of functional groups is not considered to effect the proposed read across for the endpoint of viscosity. The viscosity for the substance based on the mean of the information available is deemed to be 1.23 mPa s.
Key value for chemical safety assessment
- Viscosity:
- 1.23 mPa · s (dynamic)
- at the temperature of:
- 25 °C
Additional information
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